SCHEMBL3879247

SCHEMBL3879247

CC(c1ccc(CCCC(=O)c2ccc(-c3ccccc3)cc2)cc1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NAAA Q02083 1/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC4 P56524 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
DPP4 P27487 1/20 0.43
FAAH O00519 1/20 0.42
FFAR1 O14842 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC8 Q9BY41 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
SCHEMBL13646639 0.93 TDP1 (0.56) RAB9ANPC1CASP3SENP8SENP7
Hydrochloric Acid SCHEMBL3881259 0.92 TDP1 (0.55) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL3875652 0.90 MCHR1 (0.47) DPP4HRH3
SCHEMBL3872344 0.81 MCHR1 (0.58) NAAAHDAC1HDAC4OPRD1HRH3
SCHEMBL3868712 0.81 MCHR1 (0.55) RAB9ANPC1HDAC1HDAC4SMN1; SMN2
SCHEMBL3873969 0.80 MCHR1 (0.55) RAB9ANPC1HDAC1HDAC4SMN1; SMN2
SCHEMBL3870571 0.80 MCHR1 (0.55) RAB9ANPC1HDAC1HDAC4SMN1; SMN2
Hydrochloric Acid SCHEMBL9246979 0.76 LMNA (0.49) RAB9ANPC1HDAC1HDAC4SMN1; SMN2
SCHEMBL7704524 0.74 DPP4 (0.69) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL3868267 0.74 HDAC4 (0.48) RAB9ANPC1HDAC1HDAC4SMN1; SMN2

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 RAB9A 1092/4885NPC1 2114/4885CASP3 3999/4885

“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.