SCHEMBL4400202

SCHEMBL4400202

Cc1c(C)c2c(c(C)c1O)CCC(C)(CN1CCNCC1)O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP3A4 P08684 2/20 0.59
TSHR P16473 2/20 0.59
TP53 P04637 1/20 0.59
ALOX15 P16050 1/20 0.59
NFKB1 P19838 1/20 0.59
THPO P40225 1/20 0.59
HIF1A Q16665 1/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
DRD2 P14416 1/20 0.59
ADRA1D P25100 1/20 0.59
MAPK3 P27361 1/20 0.59
HTR2C P28335 1/20 0.59
MC4R P32245 1/20 0.59
HRH1 P35367 1/20 0.59
OPRM1 P35372 1/20 0.59
DRD3 P35462 1/20 0.59

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
Hydrochloric Acid SCHEMBL9224498 0.99 MAPT (0.59) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL10366298 0.88 USP2 (0.68) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL17289297 0.87 USP2 (0.67) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL10365792 0.79 CYP3A4 (0.58) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL9689567 0.79 CYP3A4 (0.63) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL9690398 0.78 USP2 (0.71) USP2CYP2C9CYP3A4TSHRTP53
Diphenylmethanol SCHEMBL9227487 0.77 MAPT (0.45) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL23692465 0.77 MAPT (0.59) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL10415582 0.77 MAPT (0.59) USP2CYP2C9CYP3A4TSHRTP53
SCHEMBL7057443 0.77 MAPT (0.59) USP2CYP2C9CYP3A4TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576241-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2009-08-18 US disclosed
US-7473779-B2 Derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-01-06 US disclosed
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2006-04-20 US disclosed
US-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) 2005-11-24 US disclosed
CN-1148367-C Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing same ��ѧ�о���Ӧ����ѯ��˾ 2004-05-05 CN disclosed
US-6653312-B1 Such as 3-((3-((amino(2-thienyl)methylideneamino)-benzyl)-amino)-N-(1- methyl-2,3-dihydro-1H-indol-5-yl)propanamide; NO-synthase enzyme inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-11-25 US disclosed
EP-1318149-A1 Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing them Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-06-11 EP disclosed
EP-1115719-B1 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOD CONSEILS RECH APPLIC (FR) 2003-03-05 EP disclosed
CN-1324353-A Amidine derivatives, their preparation and application as medicines and pharmaceutical compositions containing same SOD CONSEILS RECH APPLIC (FR) 2001-11-28 CN disclosed
EP-1115719-A2 NOVEL AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-07-18 EP disclosed
WO-2000017190-A2 AMIDINE DERIVATIVES, THEIR PREPARATION AND APPLICATION AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-03-30 WO disclosed
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 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 (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-20050261269-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS2, NOS1, NOS3 USP2 2471/4885CYP2C9 232/4885CYP3A4 159/4885
US-20060084667-A1 New derivatives of amidines, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADM2, NUP155, ABCG2 USP2 3864/4885CYP2C9 115/4885CYP3A4 131/4885

“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.