SCHEMBL9978601

SCHEMBL9978601

COc1ccc(Cc2cc(C(=O)O)c(OC)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50
HMGB1 P09429 1/20 0.48
CXCL12 P48061 1/20 0.48
LTA4H P09960 1/20 0.47
CHRM1 P11229 1/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP11B1 P15538 1/20 0.45

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
SCHEMBL9985435 0.88 ALDH1A1 (0.49) LTA4HNPC1KDM4EALDH1A1HPGD
SCHEMBL9978783 0.87 HMGB1 (0.67) USP2TP53HMGB1CXCL12LTA4H
SCHEMBL9748849 0.83 PTPN1 (0.47) HMGB1CXCL12
SCHEMBL14740140 0.81 CHRM1 (0.49) HMGB1CXCL12CHRM1NPC1KDM4E
SCHEMBL9978668 0.80 PPARG (0.44) CHRM1
SCHEMBL2839519 0.79 TSHR (0.66) USP2TP53LTA4HCHRM1NPC1
SCHEMBL2337391 0.77 ALDH1A1 (0.45) LTA4HNPC1KDM4EALDH1A1MAPT
SCHEMBL7591665 0.76 SMN1; SMN2 (0.51) USP2TP53LTA4HNPC1KDM4E
SCHEMBL2355103 0.75 LTA4H (0.71) LTA4HNPC1RAB9AALDH1A1LMNA
SCHEMBL7125179 0.75 MTNR1A (0.58) USP2TP53LTA4HKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2575454-B1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2018-08-29 EP claimed
US-8883850-B2 Naphthalene carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US claimed
EP-2575454-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2013-04-10 EP claimed
US-20130059860-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-03-07 US claimed
WO-2011149801-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-12-01 WO claimed
EP-2575454-B1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2018-08-29 EP disclosed
US-8883850-B2 Naphthalene carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-8883850-B2 Naphthalene carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-8883850-B2 Naphthalene carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-20130059860-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-03-07 US disclosed
US-20130059860-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-03-07 US disclosed
US-20130059860-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-03-07 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 (1 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-20130059860-A1 NAPHTHALENE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CNR1, OPRL1 USP2 4236/4885TP53 4019/4885HMGB1 3574/4885

“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.