SCHEMBL9963116

SCHEMBL9963116

CCOC(=O)C1CCN(C(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ALDH1A1 P00352 9/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
LIPE Q05469 1/20 0.43

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
SCHEMBL12258816 0.90 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL12259083 0.90 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL1911484 0.90 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EHPGDNPC1
SCHEMBL741956 0.90 MAPT (0.61) MAPTALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7326780 0.88 MAPT (0.59) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL14003361 0.86 MAPT (0.47) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL24109315 0.83 MAPT (0.48) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL29071505 0.83 MAPT (0.48) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6081128 0.82 MAPT (0.56) MAPTALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL25897048 0.81 MAPT (0.54) MAPTALDH1A1KDM4ETSHRMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-11760761-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-11242333-B2 Inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-08 US disclosed
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-12-16 US disclosed
WO-2020228649-A1 SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2020-11-19 WO disclosed
US-20190152950-A1 Inhibitors Of Plasma Kallikrein KALVISTA PHARMACEUTICALS LTD (GB) 2019-05-23 US disclosed
US-10221161-B2 Inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2019-03-05 US disclosed
US-20160168123-A1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-06-16 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 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 (8 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-20190152950-A1 Inhibitors Of Plasma Kallikrein KLKB1, SERPINB1, KLK5 MAPT 4140/4885ALDH1A1 3567/4885SMN1; SMN2 2810/4885
US-11242333-B2 Inhibitors of plasma kallikrein KLKB1, SERPINB1, KLK5 MAPT 4140/4885ALDH1A1 3567/4885SMN1; SMN2 2810/4885
US-10221161-B2 Inhibitors of plasma kallikrein KLKB1, SERPINB1, KLK5 MAPT 4140/4885ALDH1A1 3567/4885SMN1; SMN2 2810/4885
US-11760761-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 MAPT 2382/4885ALDH1A1 301/4885SMN1; SMN2 3106/4885
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS PDCD1, CD274, PDCD1LG2 MAPT 793/4885ALDH1A1 26/4885SMN1; SMN2 3068/4885
US-20160168123-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, SERPINB1, KLK5 MAPT 4140/4885ALDH1A1 3567/4885SMN1; SMN2 2810/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS MAPT 3235/4885ALDH1A1 4236/4885SMN1; SMN2 2633/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 MAPT 2512/4885ALDH1A1 534/4885SMN1; SMN2 3655/4885

“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.