SCHEMBL459295

SCHEMBL459295

CC(C)C(=O)Nc1ccc(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 2/20 0.45
PANK3 Q9H999 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPY5R Q15761 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL17387429 0.85 KMT2A (0.48) MAPTKMT2APANK3SMN1; SMN2NPC1
SCHEMBL459806 0.83 GLA (0.49) MAPTKMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL460219 0.83 SMN1; SMN2 (0.51) MAPTKMT2ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL15052561 0.83 MAPT (0.43) MAPTKMT2ASMN1; SMN2MEN1NPC1
Trifluoroacetic Acid SCHEMBL460342 0.80 KMT2A (0.43) MAPTKMT2APANK3SMN1; SMN2CYP1A2
SCHEMBL17387431 0.80 KMT2A (0.41) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL458109 0.79 GRM4 (0.50) MAPTSMN1; SMN2NPC1RAB9APOLB
SCHEMBL458853 0.79 NAMPT (0.43) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL460017 0.78 PDGFRB (0.49) MAPTKMT2ACYP2C9NPC1RAB9A
SCHEMBL460471 0.77 NPC1 (0.53) MAPTKMT2ASMN1; SMN2KDM4ENPC1

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-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US claimed
EP-2615084-B1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
EP-2615084-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2013-07-17 EP disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 WO 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-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR MAPT 4841/4885RECQL 1770/4885KMT2A 3659/4885

“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.