SCHEMBL3878624

SCHEMBL3878624

[CH2]CCC(=O)NN1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
LIPE Q05469 2/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 3/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL3875288 0.83 HTT (0.41) HTTLIPEGNAI3GNAO1GNAI1
SCHEMBL3870027 0.80 SMN1; SMN2 (0.44) HTTLIPEALDH1A1
SCHEMBL2364252 0.79 TP53 (0.50) HTTLIPEGNAI3GNAO1GNAI1
SCHEMBL265501 0.79 ALDH1A1 (0.50) HTTLIPEGNAI3GNAO1GNAI1
SCHEMBL493880 0.79 TP53 (0.50) HTTLIPEGNAI3GNAO1GNAI1
SCHEMBL9345633 0.78 GNAI3 (0.44) HTTLIPEGNAI3GNAO1GNAI1
SCHEMBL3879759 0.77 GNAI3 (0.50) HTTLIPEGNAI3GNAO1GNAI1
SCHEMBL4411873 0.77 KDM4E (0.47) HTTGNAI3GNAO1GNAI1L3MBTL1
SCHEMBL2364796 0.76 GNAI3 (0.58) HTTGNAI3GNAO1GNAI1L3MBTL1
SCHEMBL2997271 0.76 GNAI3 (0.42) HTTLIPEGNAI3GNAO1GNAI1

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 1418/4885LIPE 537/4885GNAI3 627/4885
US-20050209213-A1 Quinoline compound MC1R, MC2R, TYR HTT 545/4885LIPE 229/4885GNAI3 895/4885

“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.