SCHEMBL4249763

SCHEMBL4249763

CCCCCCN1CCC(N)CC1

nearest known ligand 0.96

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 9/20 0.96
GNAI3 P08754 8/20 0.96
GNAI1 P63096 8/20 0.96
SPHK1 Q9NYA1 1/20 0.63
KCNH2 Q12809 2/20 0.50
BCHE P06276 1/20 0.46
EBP Q15125 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
GUSB P08236 1/20 0.46

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
SCHEMBL5852136 1.00 GNAO1 (0.96) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL19779489 1.00 GNAO1 (0.96) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL595977 0.98 GNAO1 (0.92) GNAO1GNAI3GNAI1SPHK1KCNH2
Dimethylamine SCHEMBL6943083 0.92 GNAO1 (0.82) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL6941884 0.91 GNAO1 (0.81) GNAO1GNAI3GNAI1SPHK1KCNH2
Hydrochloric Acid SCHEMBL9481013 0.89 GNAO1 (0.85) GNAO1GNAI3GNAI1SPHK1KCNH2
Diethylamine SCHEMBL6941583 0.89 GNAO1 (0.77) GNAO1GNAI3GNAI1SPHK1KCNH2
SCHEMBL24261282 0.88 GNAO1 (0.76) GNAO1GNAI3GNAI1SPHK1BCHE
SCHEMBL22778650 0.88 GNAO1 (0.76) GNAO1GNAI3GNAI1SPHK1BCHE
SCHEMBL24753537 0.88 GNAO1 (0.76) GNAO1GNAI3GNAI1SPHK1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104449906-B Reduce the granular material discharged additive of alcohol-group fuel SHANXI HUADUN INDUSTRY CO., LTD. (CN) 2016-05-04 CN claimed
CN-107567445-B 2-phenyl-3H-imidazo [4,5-B ] pyridine derivatives useful as inhibitors of mammalian tyrosine kinase ROR1 activity 坎塞拉有限公司 2021-06-29 CN disclosed
EP-3253754-B1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2021-03-31 EP disclosed
US-10550113-B2 2-phenyl-3H-imidazo[4,5-B]pyridine derivates useful as inhibitors of mammalian tyrosine kinase ROR1 activity KANCERA AB (SE) 2020-02-04 US disclosed
CN-107567445-A It can be used as 2 phenyl 3H imidazos [4,5 B] pyridine derivates of mammal EGFR-TK ROR1 activities inhibitor 坎塞拉有限公司 2018-01-09 CN disclosed
US-20180002329-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2018-01-04 US disclosed
WO-2017197051-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2017-11-16 WO disclosed
WO-2016124553-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2016-08-11 WO disclosed
CN-104449906-B Reduce the granular material discharged additive of alcohol-group fuel SHANXI HUADUN INDUSTRY CO., LTD. (CN) 2016-05-04 CN disclosed
CN-104449906-B Reduce the granular material discharged additive of alcohol-group fuel SHANXI HUADUN INDUSTRY CO., LTD. (CN) 2016-05-04 CN disclosed
CN-103764648-B Pyrrolidin-3-yl acetic acid derivatives EISAI R&D MAN CO LTD 2015-07-01 CN disclosed
EP-2757103-A1 PYRROLIDINE-3-YLACETIC ACID DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2014-07-23 EP disclosed
CN-103764648-A Pyrrolidin-3-yl acetic acid derivatives EISAI R&D MAN CO LTD 2014-04-30 CN disclosed
US-8476301-B2 Pyrrolidin-3-ylacetic acid derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-07-02 US disclosed
US-20130065925-A1 PYRROLIDIN-3-YLACETIC ACID DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-14 US disclosed
WO-2009041789-A2 NOVEL 3-CHLORO-5-SUBSTITUTED-QUINOXALINE-2-AMINE DERIVATIVES AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, METHOD FOR PREPARATION, THERAPEUTIC AGENT FOR INFLAMMATORY DISEASE INDUCED BY SPC ACTIVITY CONTAINING 3-CHLORO-5-SUBSTITUTED-QUINOXALINE-2-AMINE DERIVATIVES AS AN EFFECTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-02 WO disclosed
US-6921821-B2 Antagonists of melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
EP-1534703-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR ABBOTT LABORATORIES (US) 2005-06-01 EP disclosed
US-20040106645-A1 Antagonists of melanin concentrating hormone receptor MILLENNIUM PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2003106452-A2 ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-24 WO 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 (4 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-10550113-B2 2-phenyl-3H-imidazo[4,5-B]pyridine derivates useful as inhibitors of mammalian tyrosine kinase ROR1 activity ROR1, RORB, RORA GNAO1 599/4885GNAI3 158/4885GNAI1 50/4885
US-20040106645-A1 Antagonists of melanin concentrating hormone receptor MCHR1, MCHR2, MC1R GNAO1 752/4885GNAI3 2191/4885GNAI1 1586/4885
US-20130065925-A1 PYRROLIDIN-3-YLACETIC ACID DERIVATIVE CX3CR1, CCR2, CCL2 GNAO1 2056/4885GNAI3 1518/4885GNAI1 1437/4885
US-20180002329-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY ROR1, RORB, RORA GNAO1 599/4885GNAI3 158/4885GNAI1 50/4885

“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.