SCHEMBL574013

SCHEMBL574013

CC(C)CCc1ccccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.61
ALDH1A1 P00352 3/20 0.61
CYP2C19 P33261 1/20 0.61
HRH1 P35367 2/20 0.55
HRH3 Q9Y5N1 1/20 0.55
LMNA P02545 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
ALOX15 P16050 1/20 0.53
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2D6 P10635 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL30201139 1.00 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19HRH1HRH3
Cyanamide SCHEMBL16735391 0.89 ALDH1A1 (0.51) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL12604331 0.88 CYP1A2 (0.57) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL16735392 0.87 ALDH1A1 (0.53) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL16181057 0.86 HRH1 (0.58) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL10771160 0.84 HRH1 (0.57) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL8662285 0.84 CYP1A2 (0.53) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL6938906 0.84 HRH1 (0.57) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL19865660 0.84 CYP1A2 (0.53) CYP1A2ALDH1A1CYP2C19HRH1HRH3
SCHEMBL18098078 0.82 CYP1A2 (0.51) CYP1A2ALDH1A1CYP2C19HRH1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012017242-A1 PROCESS BAKHU PHARMA LIMITED (GB) 2012-02-09 WO claimed
US-4177349-A BY-PRODUCT INHIBITION REILLY TAR & CHEMICAL CORPORATION (US) 1979-12-04 US claimed
WO-2024145273-A2 N-MYRISTOYLTRANSFERASE INHIBITORS AND METHODS OF USE SEATTLE CHILDREN'S HOSPITAL (D/B/A SEATTLE CHILDREN'S RESEARCH INSTITUTE) (US) 2024-07-04 WO disclosed
EP-4393920-A1 AROMATIC RING-CONTAINING BIOLOGICAL ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-07-03 EP disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
WO-2023230542-A2 PYRAZOLO[1,5-a]PYRIDINE DERIVATIVES FOR TREATING TRPM3-MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 US disclosed
US-11780815-B2 DNA2 inhibitors for cancer treatment CITY OF HOPE (US) 2023-10-10 US disclosed
US-20230293706-A1 Multicomponent Delivery Systems for Polyanionic Cargo Compound Delivery MEDICI THERAPEUTICS, INC. 2023-09-21 US disclosed
CN-1531541-A Rhodium and iridium complexes �����л��뵼�����޹�˾ 2004-09-22 CN disclosed
WO-2003091388-A2 POLYMORPHIC OLFACTORY RECEPTOR GENES AND ARRAYS, KITS AND METHODS UTILIZING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2003-11-06 WO disclosed
EP-1244453-A1 METHOD AND COMPOSITION FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2002-10-02 EP disclosed
EP-0725095-B1 Process for producing a polymer of vinylic compounds KURARAY CO (JP) 2002-08-21 EP disclosed
WO-2001047524-A1 METHOD AND COMPOSITION FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 WO disclosed
US-5708103-A Process for producing a polymer of vinylic compounds KURARAY CO., LTD. (JP) 1998-01-13 US disclosed
EP-0725095-A1 Process for producing a polymer of vinylic compounds KURARAY CO., LTD. (JP) 1996-08-07 EP disclosed
US-4267335-A Substituted 2,2'-bipyridyl compounds and process for preparing same REILLY TAR & CHEMICAL CORPORATION (US) 1981-05-12 US disclosed
US-4177349-A BY-PRODUCT INHIBITION REILLY TAR & CHEMICAL CORPORATION (US) 1979-12-04 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-20230293706-A1 Multicomponent Delivery Systems for Polyanionic Cargo Compound Delivery MTREX, EXOSC5, KPNA6 CYP1A2 4883/4885ALDH1A1 4262/4885CYP2C19 4877/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT CYP1A2 1682/4885ALDH1A1 982/4885CYP2C19 1361/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS CYP1A2 2469/4885ALDH1A1 1238/4885CYP2C19 3666/4885
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 CYP1A2 4669/4885ALDH1A1 4553/4885CYP2C19 4838/4885
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B CYP1A2 4548/4885ALDH1A1 4253/4885CYP2C19 4275/4885
US-11780815-B2 DNA2 inhibitors for cancer treatment DNA2, TOP2A, TOP2B CYP1A2 2825/4885ALDH1A1 3473/4885CYP2C19 4578/4885

“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.