SCHEMBL460219

SCHEMBL460219

O=C(Nc1ccc(Nc2ccccc2)cc1)N1CCC(=Cc2cc(F)ccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GLA P06280 1/20 0.49
NPC1 O15118 5/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
POLB P06746 1/20 0.47
FAAH O00519 3/20 0.47
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL459806 0.93 GLA (0.49) SMN1; SMN2MAPTHPGDGAANPSR1
SCHEMBL460471 0.86 NPC1 (0.53) SMN1; SMN2MAPTHPGDGLANPC1
SCHEMBL17387429 0.86 KMT2A (0.48) SMN1; SMN2MAPTHPGDGAAGLA
SCHEMBL460006 0.84 FAAH (0.53) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL459295 0.83 MAPT (0.49) SMN1; SMN2MAPTNPSR1NPC1RAB9A
SCHEMBL458109 0.83 GRM4 (0.50) SMN1; SMN2MAPTGAANPC1RAB9A
Trifluoroacetic Acid SCHEMBL460342 0.83 KMT2A (0.43) SMN1; SMN2MAPTHPGDGAAGLA
SCHEMBL15052561 0.82 MAPT (0.43) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL460017 0.81 PDGFRB (0.49) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL17387431 0.81 KMT2A (0.41) SMN1; SMN2MAPTNPC1RAB9AALDH1A1

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 SMN1; SMN2 4361/4885MAPT 4841/4885HPGD 11/4885

“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.