SCHEMBL3314142

SCHEMBL3314142

OC1CCc2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.49
KCNH2 Q12809 12/20 0.49
P2RX7 Q99572 2/20 0.43
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL17549915 1.00 OPRL1 (0.49) OPRL1KCNH2P2RX7HDAC1HDAC6
SCHEMBL29439759 1.00 OPRL1 (0.49) OPRL1KCNH2P2RX7HDAC1HDAC6
SCHEMBL10286357 0.89 P2RX7 (0.45) OPRL1KCNH2P2RX7HDAC1HDAC6
SCHEMBL5021376 0.89 P2RX7 (0.45) OPRL1KCNH2P2RX7HDAC1HDAC6
SCHEMBL1514902 0.89 P2RX7 (0.45) OPRL1KCNH2P2RX7HDAC1HDAC6
SCHEMBL29472109 0.89 P2RX7 (0.45) OPRL1KCNH2P2RX7HDAC1HDAC6
SCHEMBL2171553 0.87 P2RX7 (0.44) OPRL1KCNH2P2RX7HDAC1HDAC6
SCHEMBL10286331 0.87 P2RX7 (0.44) OPRL1KCNH2P2RX7HDAC1HDAC6
SCHEMBL30979862 0.87 P2RX7 (0.44) OPRL1KCNH2P2RX7HDAC1HDAC6
SCHEMBL10286334 0.87 P2RX7 (0.44) OPRL1KCNH2P2RX7HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143179-B1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER IDORSIA PHARMACEUTICALS LTD (CH) 2025-10-22 EP claimed
EP-3644990-B1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2022-11-30 EP claimed
US-9139567-B2 Arylpyrazole ethers as inhibitors of leukotriene A4 hydrolase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-22 US claimed
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 US claimed
EP-2734516-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Boehringer Ingelheim International GmbH (DE) 2014-05-28 EP claimed
WO-2013012844-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 WO claimed
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
EP-4467199-A2 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2024-11-27 EP disclosed
EP-3976597-B1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-08-28 EP disclosed
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-06-20 US disclosed
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 US disclosed
US-20230398529-A1 ASYMMETRIC TRANSFER HYDROGENATION OF 2-ARYL SUBSTITUTED BICYCLIC PYRIDINE KETONES IN PRESENCE OF A CHIRAL RUTHENIUM CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2023-12-14 US disclosed
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2023-11-28 US disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
EP-0456279-B1 Condensed piperidine derivatives, intermediates and process for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1996-01-03 EP disclosed
EP-0306356-B1 CONDENSED PIPERIDINE DERIVATIVES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION , THEIR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-05-19 EP disclosed
US-5126353-A Also used as analgesics, diuretics, hypotensive agents, antiischemic agents ROUSSEL UCLAF (FR) 1992-06-30 US disclosed
EP-0456279-A1 Condensed piperidine derivatives, intermediates and process for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1991-11-13 EP disclosed
US-4927832-A DIURETIC, ANTIARRYTHMIA, ANTIISCHEMIC, HYPOTENSIVE ROUSSEL UCLAF (FR) 1990-05-22 US disclosed
EP-0306356-A1 Condensed piperidine derivatives, intermediates and process for their preparation , their use as medicaments and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1989-03-08 EP 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-20230398529-A1 ASYMMETRIC TRANSFER HYDROGENATION OF 2-ARYL SUBSTITUTED BICYCLIC PYRIDINE KETONES IN PRESENCE OF A CHIRAL RUTHENIUM CATALYST ADH5, ADH1A, ADH1C OPRL1 3558/4885KCNH2 551/4885P2RX7 2532/4885
US-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 OPRL1 1590/4885KCNH2 3269/4885P2RX7 2961/4885
US-11827634-B2 Small molecule inhibitors of NF-kB inducing kinase NFKBIA, IKBKB, NFRKB OPRL1 3884/4885KCNH2 3080/4885P2RX7 3876/4885
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase IRAK3, IKBKB, IKBKG OPRL1 2525/4885KCNH2 1859/4885P2RX7 3992/4885
US-20240199605-A1 SMALL MOLECULAR INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, IKBKE OPRL1 3864/4885KCNH2 3340/4885P2RX7 3760/4885
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R OPRL1 965/4885KCNH2 1074/4885P2RX7 438/4885

“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.