SCHEMBL331059

SCHEMBL331059

Clc1ccc(Nc2ccccc2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HSD17B10 Q99714 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
TSHR P16473 2/20 0.59
ALOX12 P18054 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ALOX15 P16050 2/20 0.59
PTGS1 P23219 1/20 0.59
SLC6A2 P23975 1/20 0.59
MAPK1 P28482 1/20 0.59
PTGS2 P35354 1/20 0.59
HTR2B P41595 1/20 0.59
MAPT P10636 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
AR P10275 1/20 0.58
NPY5R Q15761 1/20 0.57
CYP3A4 P08684 3/20 0.54
HPGD P15428 2/20 0.54
NPC1 O15118 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12614443 0.88 RAPGEF4 (0.59) SLC6A2MAPTMEN1KMT2ACYP3A4
SCHEMBL6076594 0.84 EPHX1 (0.57) SLC6A2MAPTMEN1KMT2ANPY5R
SCHEMBL29267932 0.83 ALDH1A1 (0.69) ALDH1A1HSD17B10TDP1TSHRALOX12
SCHEMBL6351833 0.83 FADS1 (0.49) ALDH1A1MAPTMEN1KMT2ARAPGEF4
SCHEMBL27714137 0.82 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1MAPTMEN1
SCHEMBL8098491 0.81 RAPGEF4 (0.59) ALDH1A1HSD17B10TDP1TSHRALOX12
SCHEMBL11309079 0.81 TSHR (0.53) ALDH1A1HSD17B10TDP1TSHRALOX12
SCHEMBL7554636 0.81 SOS1 (0.60) ALDH1A1HSD17B10TDP1TSHRALOX12
SCHEMBL11289947 0.81 CYP3A4 (0.53) ALDH1A1HSD17B10TDP1TSHRALOX12
SCHEMBL11896130 0.81 RAPGEF4 (0.54) ALDH1A1HSD17B10TDP1TSHRALOX12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502541-B Compounds inducing expression of anti-aging gene KLOTHO and application thereof 克洛索科学公司 2024-06-07 CN disclosed
CN-117157280-A Composition for preventing or treating chronic kidney disease comprising compound inducing expression of anti-aging gene klotho 克洛索科学公司 2023-12-01 CN disclosed
CN-117136055-A Composition for preventing or treating degenerative neurological diseases comprising compound inducing expression of anti-aging gene klotho 克洛索科学公司 2023-11-28 CN disclosed
CN-116019794-A Application of amino fullerene material in preparation of exosome PD-L1 inhibition drugs 中国科学院化学研究所 2023-04-28 CN disclosed
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 US disclosed
EP-3351538-A1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS The United States of America, as represented by The Secretary of The Army, on behalf of Walter Reed Army Institute of Research (US) 2018-07-25 EP disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
EP-2970153-B1 TRIAZINE COMPOUNDS AND COMPOSITIONS THEREOF AND METHODS FOR TREATING MALARIA AND CHEMOPROPHYLAXIS THE US SECRETARY OF THE ARMY ON BEHALF OF WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2018-02-21 EP disclosed
US-9700562-B2 Triazine compounds and compositions thereof and methods for treating malaria and chemoprophylaxis THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF THE WALTER REED ARMY INSTITUTE OF RESEARCH (US) 2017-07-11 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
EP-2407451-B1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMA CO LTD (JP) 2013-11-20 EP disclosed
US-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-08 US disclosed
US-8420623-B2 N, N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
EP-2407451-A1 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors Otsuka Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-8084442-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-12-27 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
EP-1881975-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-30 EP disclosed
WO-2006121218-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 WO disclosed
US-3982019-A Insecticidal compositions containing trifluoromethyl ureas and method of controlling insects using said compositions VELSICOL CHEMICAL CORPORATION (US) 1976-09-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885HSD17B10 1172/4885TDP1 636/4885
US-20130203750-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885HSD17B10 1172/4885TDP1 636/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885HSD17B10 1172/4885TDP1 636/4885
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885HSD17B10 1172/4885TDP1 636/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885HSD17B10 1172/4885TDP1 636/4885
US-20120065162-A1 N-N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 380/4885HSD17B10 1276/4885TDP1 684/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.