SCHEMBL3870026

SCHEMBL3870026

CC[CH]C(=O)NN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
CYP2D6 P10635 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
LIPE Q05469 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3879754 0.82 L3MBTL1 (0.38) HTTCA12CA2CA9LIPE
SCHEMBL15711281 0.82 CYP2D6 (0.41) SMN1; SMN2CYP2D6HTTTSHRCA12
SCHEMBL3878619 0.81 L3MBTL1 (0.40) HTTLIPEMEN1KMT2AALDH1A1
SCHEMBL8054253 0.79 CYP2D6 (0.46) SMN1; SMN2CYP2D6HTTTSHRCA12
SCHEMBL3877360 0.79 CYP2D6 (0.46) SMN1; SMN2CYP2D6HTTCA12CA1
SCHEMBL6176134 0.76 CA12 (0.47) SMN1; SMN2CYP2D6HTTCA12CA1
SCHEMBL10703367 0.75 SMN1; SMN2 (0.46) SMN1; SMN2CYP2D6HTTCA12CA1
SCHEMBL1147261 0.75 CA12 (0.45) SMN1; SMN2CYP2D6HTTCA12CA1
SCHEMBL19124539 0.72 LIPE (0.58) SMN1; SMN2CYP2D6HTTCA12CA1
SCHEMBL3422335 0.71 CA12 (0.50) SMN1; SMN2CYP2D6HTTCA12CA1

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 SMN1; SMN2 2397/4885CYP2D6 978/4885HTT 1418/4885
US-20050209213-A1 Quinoline compound MC1R, MC2R, TYR SMN1; SMN2 3577/4885CYP2D6 301/4885HTT 545/4885

“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.