SCHEMBL733206

SCHEMBL733206

CCN(C)Cc1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.62
CHRNA4 P43681 1/20 0.62
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.42
USP2 O75604 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CHRM5 P08912 1/20 0.41
CHKA P35790 1/20 0.41

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
SCHEMBL27947483 0.88 SMN1; SMN2 (0.50) CHRNB2CHRNA4KDM4ESMN1; SMN2CYP1A2
SCHEMBL30093206 0.86 KDM4E (0.53) CHRNB2CHRNA4KDM4ESMN1; SMN2CYP1A2
SCHEMBL12763726 0.83 CHRNB2 (0.56) CHRNB2CHRNA4KDM4E
SCHEMBL15308555 0.83 KDM4E (0.51) CHRNB2CHRNA4KDM4ESMN1; SMN2CYP1A2
SCHEMBL24368300 0.80 KDM4E (0.45) CHRNB2CHRNA4KDM4ESMN1; SMN2CYP1A2
SCHEMBL22928691 0.79 CYP1A2 (0.44) CHRNB2CHRNA4KDM4ESMN1; SMN2CYP1A2
SCHEMBL6637369 0.79 HRH3 (0.60) KDM4EMAPK1USP2NR1H2NR1H3
SCHEMBL171670 0.78 PYCR1 (0.53) CHRNB2CHRNA4KDM4ESMN1; SMN2
SCHEMBL4001727 0.78 KDM4E (0.47) CHRNB2CHRNA4KDM4ESMN1; SMN2CYP1A2
SCHEMBL1602718 0.78 ALDH1A1 (0.56) CHRNB2CHRNA4KDM4ESMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US claimed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US claimed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US claimed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 US disclosed
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 EP disclosed
WO-2021101919-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-27 WO disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 US disclosed
WO-2004093860-A1 INHIBITORS OF SARS RELATED CORONAVIRUS PROTEINASE PFIZER INC. (US) 2004-11-04 WO disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 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 (5 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R CHRNB2 2224/4885CHRNA4 2213/4885KDM4E 2235/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R CHRNB2 2224/4885CHRNA4 2213/4885KDM4E 2235/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 CHRNB2 2805/4885CHRNA4 3117/4885KDM4E 562/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R CHRNB2 2351/4885CHRNA4 1524/4885KDM4E 1817/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA CHRNB2 223/4885CHRNA4 341/4885KDM4E 1957/4885

“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.