SCHEMBL566557

SCHEMBL566557

Cc1c(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2F)ccc2cc(CNCC(C)C)cnc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
GRM5 P41594 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL567084 0.91 MCHR1 (0.48) MCHR1SMN1; SMN2RAB9AMAPTGRM5
SCHEMBL566759 0.91 MCHR1 (0.46) MCHR1SMN1; SMN2RAB9AMAPTGRM5
SCHEMBL566864 0.90 MCHR1 (0.46) MCHR1SMN1; SMN2RAB9AMAPTGRM5
SCHEMBL566558 0.89 MCHR1 (0.57) MCHR1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL10216306 0.89 MCHR1 (0.57) MCHR1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL567528 0.86 SMN1; SMN2 (0.48) MCHR1SMN1; SMN2RAB9AMAPTGRM5
SCHEMBL567495 0.85 MCHR1 (0.43) MCHR1SMN1; SMN2RAB9AMAPTGRM5
SCHEMBL567496 0.85 MCHR1 (0.43) MCHR1SMN1; SMN2RAB9AMAPTGRM5
SCHEMBL567497 0.85 MCHR1 (0.43) MCHR1SMN1; SMN2RAB9AMAPTGRM5
SCHEMBL13674018 0.81 MCHR1 (0.58) MCHR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383647-B2 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-26 US disclosed
US-8383647-B2 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-26 US disclosed
US-8383647-B2 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-26 US disclosed
US-20120035213-A1 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
US-20120035213-A1 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
US-20120035213-A1 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2392573-A1 QUINOLINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2011-12-07 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-20120035213-A1 Quinoline derivative MC1R, MCHR1, MCHR2 MCHR1 2/4885SMN1; SMN2 3674/4885RAB9A 578/4885

“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.