SCHEMBL3875595

SCHEMBL3875595

C[CH]C(=O)NN1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LIPE Q05469 2/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL3875284 0.98 HTT (0.41) HTTL3MBTL1KDM4EALDH1A1TP53
SCHEMBL3877360 0.80 CYP2D6 (0.46) HTTL3MBTL1CA12CA2CA9
SCHEMBL1337362 0.76 TGM2 (0.42) HTTL3MBTL1KDM4EALDH1A1TP53
SCHEMBL3879754 0.76 L3MBTL1 (0.38) HTTL3MBTL1KDM4EALDH1A1TP53
SCHEMBL615220 0.74 HTT (0.41) HTTL3MBTL1KDM4EALDH1A1TP53
SCHEMBL3878619 0.74 L3MBTL1 (0.40) HTTL3MBTL1KDM4EALDH1A1TP53
SCHEMBL23000928 0.73 LIPE (0.43) HTTL3MBTL1KDM4EALDH1A1TP53
SCHEMBL715894 0.72
SCHEMBL3875596 0.71 HTT (0.44) HTTL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL26690315 0.71

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 6 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-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 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
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 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 (2 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 HTT 1418/4885L3MBTL1 2754/4885KDM4E 1415/4885
US-20050209213-A1 Quinoline compound MC1R, MC2R, TYR HTT 545/4885L3MBTL1 3211/4885KDM4E 2112/4885

“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.