SCHEMBL663

SCHEMBL663

Cn1c(CCN)cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.46
KDM1A O60341 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
DAO P14920 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
SCHEMBL4538547 0.85 KMT2A (0.48) POLBKMT2AKDM1ADAO
SCHEMBL7072559 0.83 KMT2A (0.47) POLBKMT2AKDM1ADAO
SCHEMBL7295324 0.81 DAO (0.47) POLBKMT2AKDM1ADAO
SCHEMBL4672103 0.80 OXER1 (0.52) KMT2A
SCHEMBL8520991 0.80 HTR2A (0.41) OPRM1OPRD1OPRK1OPRL1
SCHEMBL26513551 0.79 KDM1A (0.46) POLBKMT2AKDM1A
SCHEMBL6942314 0.79 DAO (0.45) POLBKMT2AKDM1ADAO
SCHEMBL28223276 0.79 OXER1 (0.53)
SCHEMBL7246243 0.79 NPC1 (0.49) POLBKMT2AKDM1ADAO
SCHEMBL1882418 0.79 KMT2A (0.50) POLBKMT2AKDM1ADAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
US-9067951-B2 Process and intermediates for the production of CCR2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-30 US disclosed
EP-2816040-A1 Process for the production of CCR2 receptor antagonists and intermediates thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-24 EP disclosed
US-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-13 US disclosed
US-5360800-A Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives GLAXO GROUP LIMITED (GB) 1994-11-01 US disclosed
EP-0306323-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1994-09-21 EP disclosed
EP-0306323-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 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 (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-20140336374-A1 PROCESS AND INTERMEDIATES FOR THE PRODUCTION OF CCR2 ANTAGONISTS CCR2, CCR5, CCR1 POLB 3067/4885KMT2A 4077/4885KDM1A 4753/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 POLB 4547/4885KMT2A 3415/4885KDM1A 4620/4885

“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.