SCHEMBL625617

SCHEMBL625617

[C]1OCCCC1C1CCCO1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 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
SCHEMBL286235 0.96 CHRM2 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3417328 0.77
SCHEMBL9296811 0.73
SCHEMBL8515490 0.71 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12700286 0.71 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15095887 0.71 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1621071 0.70 ALDH1A1 (0.32)
SCHEMBL7227309 0.70
SCHEMBL22788167 0.68
SCHEMBL24752922 0.66 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3652157-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2020-05-20 EP claimed
WO-2019012037-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 WO claimed
US-20180185360-A1 CGRP RECEPTOR ANTAGONIST COMPOUNDS FOR TOPICAL TREATMENT OF SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-07-05 US claimed
EP-3313518-A1 CGRP RECEPTOR ANTAGONIST COMPOUNDS FOR TOPICAL TREATMENT OF SKIN DISORDERS Galderma Research & Development (FR) 2018-05-02 EP claimed
EP-3212641-A1 THIAZOLES AS MODULATORS OF RORyt Janssen Pharmaceutica NV (BE) 2017-09-06 EP claimed
WO-2017001433-A1 CGRP RECEPTOR ANTAGONIST COMPOUNDS FOR TOPICAL TREATMENT OF SKIN DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-01-05 WO claimed
WO-2016069976-A1 THIAZOLES AS MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2016-05-06 WO claimed
US-9018212-B2 Pyridazine carboxamides as CCR2 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-28 US claimed
EP-2576542-B1 Cyclic amide derivatives of pyridazine-3-carboxylic acids and their use in the treatment of pulmonary, pain, immune related and cardiovascular diseases BOEHRINGER INGELHEIM INT (DE) 2015-04-22 EP claimed
EP-2571870-B1 CCR2 ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP claimed
US-8841313-B2 CCR2 antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-23 US claimed
US-20130184299-A1 CCR2 ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US claimed
EP-2576542-A1 CCR2 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-04-10 EP claimed
EP-2571870-A1 CCR2 ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2013-03-27 EP claimed
WO-2011147772-A1 CCR2 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 WO claimed
WO-2011144501-A1 CCR2 ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 WO claimed
US-7384967-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-06-10 US claimed
US-6982263-B2 Nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 US claimed
WO-2005035500-A2 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2005-04-21 WO claimed
US-4185014-A Kentenimine intermediates for 6α-methoxy-α-carboxy penicillins BEECHAM GROUP LIMITED (GB) 1980-01-22 US claimed

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-20180185360-A1 CGRP RECEPTOR ANTAGONIST COMPOUNDS FOR TOPICAL TREATMENT OF SKIN DISORDERS CALCRL, MRGPRX1, IL1RN CHRM2 768/4885CHRM4 1318/4885CHRM5 1241/4885
US-20130184299-A1 CCR2 ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCL2 CHRM2 153/4885CHRM4 382/4885CHRM5 344/4885

“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.