Sugi Predict

Sugi Predict / Compounds / SCHEMBL3879136

SCHEMBL3879136

SCHEMBL3879136

O=C(NCCc1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(CN2CCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 16/20 1.00
▸ CHRM1 P11229 4/20 1.00
▸ HTR2A P28223 4/20 1.00
▸ CYP2D6 P10635 3/20 1.00
▸ ALDH1A1 P00352 1/20 0.62
▸ NPC1 O15118 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ GFER P55789 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ LSS P48449 1/20 0.60
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57

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
SCHEMBL3875301 1.00 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3870667 0.99 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3868266 0.90 MCHR1 (0.82) MCHR1CHRM1HTR2ACYP2D6SMN1; SMN2
SCHEMBL3870972 0.89 MCHR1 (0.80) MCHR1CHRM1HTR2ACYP2D6NPC1
SCHEMBL3875743 0.89 MCHR1 (0.80) MCHR1CHRM1HTR2ACYP2D6ALDH1A1
SCHEMBL3877390 0.89 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6NPC1
SCHEMBL6248254 0.88 MCHR1 (0.78) MCHR1CHRM1HTR2ACYP2D6NPC1
SCHEMBL3868689 0.88 MCHR1 (0.98) MCHR1CHRM1HTR2ACYP2D6NPC1
SCHEMBL6706023 0.87 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6NPC1
SCHEMBL3877227 0.87 MCHR1 (0.79) MCHR1CHRM1HTR2ACYP2D6ALDH1A1

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 MCHR1 4/4885CHRM1 217/4885HTR2A 94/4885

“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.