SCHEMBL2604450

SCHEMBL2604450

N[C@H]1CC[C@H](n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.62
CHRM2 P08172 2/20 0.62
CHRM4 P08173 2/20 0.62
CHRM3 P20309 1/20 0.62
OPRM1 P35372 7/20 0.59
OPRK1 P41145 2/20 0.59
OPRL1 P41146 2/20 0.59
SLC18A3 Q16572 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
DRD2 P14416 1/20 0.56
KCNH2 Q12809 1/20 0.56
PLD1 Q13393 1/20 0.54

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
SCHEMBL22605478 1.00 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL342295 1.00 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL2604448 1.00 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRM1
Hydrochloric Acid SCHEMBL15273446 0.98 CHRM1 (0.60) CHRM1CHRM2CHRM4CHRM3OPRM1
Hydrochloric Acid SCHEMBL16444395 0.98 CHRM1 (0.60) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL319049 0.92 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL8863517 0.92 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL8863418 0.92 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL8863420 0.92 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL22605488 0.86 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 CN disclosed
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 US disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-9340549-B2 Oxazolidinone compounds and derivatives thereof AMGEN INC. (US) 2016-05-17 US disclosed
US-9340549-B2 Oxazolidinone compounds and derivatives thereof AMGEN INC. (US) 2016-05-17 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US disclosed
US-8252815-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2012-08-28 US disclosed
US-8252815-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2012-08-28 US disclosed
US-20120095049-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2012-04-19 US disclosed
US-20120095049-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2012-04-19 US disclosed
US-7939670-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2011-05-10 US disclosed
US-7939670-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2011-05-10 US disclosed
US-20090156640-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE S.A. 2009-06-18 US disclosed
US-20090156640-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE S.A. 2009-06-18 US disclosed
US-7495109-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2009-02-24 US disclosed
US-7495109-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2009-02-24 US 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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 CHRM1 4737/4885CHRM2 4730/4885CHRM4 4704/4885
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof TNKS, TPI1, TNKS1BP1 CHRM1 4446/4885CHRM2 4810/4885CHRM4 4741/4885
US-20090156640-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 CHRM1 242/4885CHRM2 369/4885CHRM4 231/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 CHRM1 242/4885CHRM2 369/4885CHRM4 231/4885

“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.