Sugi Predict

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SCHEMBL3872344

SCHEMBL3872344

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

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.58
▸ MLYCD O95822 2/20 0.48
▸ CDK4 P11802 2/20 0.46
▸ CCND1 P24385 2/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ OPRD1 P41143 3/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ GRIA2 P42262 1/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ NAAA Q02083 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ ESRRG P62508 1/20 0.43
▸ ABL1 P00519 4/20 0.42
▸ RIN1 Q13671 4/20 0.42

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
SCHEMBL3879247 0.81 RAB9A (0.48) OPRD1HRH3NAAAHDAC4HDAC1
SCHEMBL3868712 0.80 MCHR1 (0.55) MCHR1CYP2D6HDAC4HDAC1ESRRG
SCHEMBL3879786 0.79 MCHR1 (0.48) MCHR1
SCHEMBL3873969 0.79 MCHR1 (0.55) MCHR1CYP2D6HDAC4HDAC1ESRRG
SCHEMBL3870571 0.79 MCHR1 (0.55) MCHR1CYP2D6HDAC4HDAC1ESRRG
SCHEMBL18531149 0.77 MLYCD (0.57) MCHR1MLYCDCDK4CCND1CYP2C9
Hydrochloric Acid SCHEMBL9246979 0.76 LMNA (0.49) OPRD1CYP2D6HDAC4HDAC1
SCHEMBL13646639 0.73 TDP1 (0.56) OPRD1CYP2D6CYP2C9CYP2C19HDAC4
SCHEMBL5549345 0.73 ACHE (0.49) HRH3
SCHEMBL27891608 0.72 MLYCD (0.65) MCHR1MLYCDCDK4CCND1CDK2

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 4/4885MLYCD 4016/4885CDK4 1832/4885

“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.