SCHEMBL3875288

SCHEMBL3875288

[CH2]CC(=O)NN1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.38
LIPE Q05469 2/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
PKM P14618 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3878624 0.83 HTT (0.43) HTTL3MBTL1ALDH1A1LIPEMAPT
SCHEMBL3877365 0.78 CA12 (0.45) HTTLIPE
SCHEMBL15054837 0.77 HTT (0.41) HTTL3MBTL1ALDH1A1LIPEMAPT
SCHEMBL4591725 0.77 HTT (0.47) HTTL3MBTL1ALDH1A1MAPTPOLB
SCHEMBL1507938 0.77 ALDH1A1 (0.43) HTTL3MBTL1ALDH1A1LIPEMAPT
SCHEMBL1428597 0.77 HTT (0.41) HTTL3MBTL1ALDH1A1LIPEMAPT
SCHEMBL8725 0.76 HTT (0.39) HTTL3MBTL1ALDH1A1LIPEMAPT
SCHEMBL14902206 0.76 L3MBTL1 (0.42) HTTL3MBTL1ALDH1A1LIPEMAPT
SCHEMBL9043266 0.76 ALDH1A1 (0.61) ALDH1A1POLBGAAKDM4E
Hydrochloric Acid SCHEMBL7311086 0.76 HTT (0.40) HTTL3MBTL1ALDH1A1LIPEMAPT

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 2754/4885ALDH1A1 332/4885
US-20050209213-A1 Quinoline compound MC1R, MC2R, TYR HTT 545/4885L3MBTL1 3211/4885ALDH1A1 1174/4885

“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.