SCHEMBL1009313

SCHEMBL1009313

C1CC(NCC2CC2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.44
GNAO1 P09471 3/20 0.44
GNAI1 P63096 3/20 0.44
KCNH2 Q12809 1/20 0.41
KDM1A O60341 6/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
EPHX1 P07099 2/20 0.39
SOS1 Q07889 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
ALOX15 P16050 2/20 0.36
TSHR P16473 1/20 0.36
KDM1B Q8NB78 1/20 0.36
POLB P06746 1/20 0.35
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
RAD52 P43351 1/20 0.34

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
Hydrochloric Acid SCHEMBL4796821 0.98 GNAI3 (0.47) GNAI3GNAO1GNAI1KCNH2KDM1A
SCHEMBL5868698 0.95 KDM1A (0.44) GNAI3GNAO1GNAI1KCNH2KDM1A
SCHEMBL27804953 0.91 GNAI3 (0.41) GNAI3GNAO1GNAI1KCNH2KDM1A
SCHEMBL3307772 0.91 GNAI3 (0.41) GNAI3GNAO1GNAI1KCNH2KDM1A
SCHEMBL19366459 0.90 KDM1A (0.44) GNAI3GNAO1GNAI1KCNH2KDM1A
SCHEMBL1587227 0.89 GNAI3 (0.38) GNAI3GNAO1GNAI1KCNH2KDM1A
SCHEMBL2673338 0.89 EPHX1 (0.44) GNAI3GNAO1GNAI1KCNH2KDM1A
SCHEMBL20576713 0.86 KCNH2 (0.59) GNAI3GNAO1GNAI1KCNH2KDM1A
SCHEMBL17311122 0.86 KCNH2 (0.59) GNAI3GNAO1GNAI1KCNH2KDM1A
SCHEMBL5868679 0.85 GNAI3 (0.38) GNAI3GNAO1GNAI1KCNH2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596069-B1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO SCRIPPS RESEARCH INST (US) 2022-07-13 EP disclosed
US-20220162202-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2022-05-26 US disclosed
CN-105492433-B 6- (5-hydroxy-1H-pyrazol-1-yl) nicotinamide derivatives and their use as PHD inhibitors 武田药品工业株式会社 2018-11-23 CN disclosed
CN-108884097-A Pyridine derivatives, preparation method and its purposes in medicine 浙江海正药业股份有限公司 2018-11-23 CN disclosed
CN-108473501-A Therapeutic compounds, its composition and application method 豪夫迈·罗氏有限公司 2018-08-31 CN disclosed
CN-105492433-A 6- (5-hydroxy-1H-pyrazol-1-yl) nicotinamide derivatives and their use as PHD inhibitors TAKEDA PHARMACEUTICALS CO 2016-04-13 CN disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
EP-2268631-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
WO-2009118254-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-10-01 WO disclosed
EP-1737842-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS Boehringer Ingelheim International GmbH (DE) 2007-01-03 EP disclosed
WO-2005100343-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 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 (2 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-20220162202-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 GNAI3 811/4885GNAO1 102/4885GNAI1 585/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT GNAI3 3587/4885GNAO1 4293/4885GNAI1 3706/4885

“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.