SCHEMBL3869022

SCHEMBL3869022

CC(C)CCOc1ccc(C(=O)NCCc2ccc(C(C)N3CCCC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 1/20 0.54
NPC1 O15118 4/20 0.50
MAPT P10636 4/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CHRM4 P08173 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TP53 P04637 2/20 0.48
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44

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
SCHEMBL3882143 0.99 ALDH1A1 (0.53) ALDH1A1TSHRNPC1MAPTRAB9A
SCHEMBL3881281 0.99 ALDH1A1 (0.53) ALDH1A1TSHRNPC1MAPTRAB9A
SCHEMBL3879408 0.92 ALDH1A1 (0.52) ALDH1A1TSHRNPC1MAPTRAB9A
SCHEMBL3869706 0.91 NPC1 (0.62) ALDH1A1NPC1MAPTRAB9AMEN1
SCHEMBL3867776 0.89 CHRM4 (0.51) ALDH1A1TSHRNPC1MAPTRAB9A
SCHEMBL3875308 0.89 CHRM4 (0.51) ALDH1A1TSHRNPC1MAPTRAB9A
SCHEMBL3869759 0.87 CHRM4 (0.59) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL3875776 0.87 CHRM4 (0.58) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL3871442 0.87 CHRM4 (0.58) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL3879399 0.86 MCHR1 (0.60) ALDH1A1TSHRNPC1MAPTRAB9A

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 ALDH1A1 332/4885TSHR 38/4885NPC1 2114/4885

“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.