SCHEMBL2929035

SCHEMBL2929035

O=C(c1ccc(Cl)cc1)c1ccc(CN2CCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
KDM4E B2RXH2 1/20 0.70
HDAC1 Q13547 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MCHR1 Q99705 5/20 0.60
CHRM1 P11229 3/20 0.60
HTR2A P28223 3/20 0.60
CYP2D6 P10635 1/20 0.60
HRH3 Q9Y5N1 4/20 0.57
GPR183 P32249 1/20 0.56
SIGMAR1 Q99720 1/20 0.53
GAA P10253 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LSS P48449 1/20 0.52
HRH4 Q9H3N8 1/20 0.52

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
SCHEMBL3275430 0.93 HDAC1 (0.69) ALDH1A1KDM4EHDAC1HDAC8HDAC6
SCHEMBL3275253 0.91 HRH3 (0.69) ALDH1A1KDM4EHDAC1HDAC8HDAC6
SCHEMBL28784579 0.91 HRH3 (0.69) ALDH1A1KDM4EHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL27789104 0.89 HRH3 (0.67) ALDH1A1KDM4EHDAC1HDAC8HDAC6
SCHEMBL3276896 0.86 CASP1 (0.64) ALDH1A1KDM4EHDAC1HDAC8HDAC6
SCHEMBL2929466 0.85 NPC1 (0.71) ALDH1A1KDM4EHRH3NPC1RAB9A
SCHEMBL7937990 0.85 ALDH1A1 (0.95) ALDH1A1KDM4ECYP2D6HRH3SIGMAR1
SCHEMBL3282966 0.85 CASP1 (0.62) ALDH1A1KDM4EHDAC1HDAC8HDAC6
SCHEMBL28206349 0.85 CASP1 (0.62) ALDH1A1KDM4EHDAC1HDAC8HDAC6
SCHEMBL2932980 0.85 MCHR1 (0.56) ALDH1A1KDM4EHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121616-B1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2010-09-15 EP disclosed
US-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS GIUSEPPE CAMPIANI (IT) 2010-04-15 US disclosed
EP-2121616-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS Campiani, Giuseppe (IT) 2009-11-25 EP disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
WO-2008101891-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2008-08-28 WO disclosed
WO-2007104696-A1 ANTIMALARIAL AGENTS HAVING POLYAROMATIC STRUCTURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-20 WO disclosed
US-20060128690-A1 Amine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-15 US disclosed
EP-1593667-A1 AMINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 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-20060128690-A1 Amine derivative MC1R, MC2R, MC4R ALDH1A1 332/4885KDM4E 1415/4885HDAC1 406/4885
US-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS QTRT1, QTRT2, IL4I1 ALDH1A1 4027/4885KDM4E 315/4885HDAC1 1922/4885

“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.