SCHEMBL3872575

SCHEMBL3872575

CC(=O)c1ccc(CCNC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.58
HDAC2 Q92769 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
POLB P06746 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
ESRRG P62508 3/20 0.55
ESRRB O95718 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C19 P33261 1/20 0.54
GFER P55789 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 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
SCHEMBL15679867 0.88 NPC1 (0.72) HSP90AA1HDAC2HDAC8HDAC6POLB
SCHEMBL11368264 0.86 ESRRG (0.70) HDAC2HDAC8HDAC6POLBNPC1
SCHEMBL24648707 0.86 NPC1 (0.56) HDAC2HDAC8HDAC6NPC1RAB9A
SCHEMBL4027983 0.85 ESRRG (0.76) HSP90AA1HDAC8HDAC6NPC1RAB9A
SCHEMBL3873689 0.84 HSP90AA1 (0.80) HSP90AA1HDAC2HDAC8HDAC6NPC1
SCHEMBL3867691 0.82 ALDH1A1 (0.56) HSP90AA1HDAC2HDAC8HDAC6POLB
SCHEMBL11711101 0.82 SMN1; SMN2 (0.67) HSP90AA1HDAC2HDAC8HDAC6POLB
SCHEMBL8163396 0.82 HSP90AA1 (0.68) HSP90AA1HDAC2HDAC8HDAC6NPC1
SCHEMBL24649289 0.82 MAPT (0.70) HDAC2HDAC8HDAC6NPC1RAB9A
SCHEMBL3875576 0.81 ALDH1A1 (0.55) HSP90AA1HDAC2HDAC8HDAC6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20060128690-A1 Amine derivative MC1R, MC2R, MC4R HSP90AA1 2143/4885HDAC2 581/4885HDAC8 1279/4885

“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.