SCHEMBL460097

SCHEMBL460097

CC(C)(C)C(=O)N1CCC(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HPGDS O60760 3/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 4/20 0.39
CCR3 P51677 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
CXCR3 P49682 1/20 0.38
NTRK1 P04629 1/20 0.37
SRD5A2 P31213 1/20 0.37

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
SCHEMBL458768 0.93 HPGDS (0.41) DRD2DRD4DRD3HPGDSALDH1A1
SCHEMBL458157 0.91 EPHX2 (0.43) HPGDSALDH1A1POLBUSP2TSHR
SCHEMBL459705 0.88 HPGDS (0.53) HPGDSALDH1A1LMNANPC1NTRK1
SCHEMBL459347 0.86 ALDH1A1 (0.45) HPGDSALDH1A1POLBUSP2TSHR
SCHEMBL458154 0.86 CCR3 (0.41) HPGDSALDH1A1POLBUSP2TSHR
SCHEMBL458159 0.86 EPHX2 (0.46) ALDH1A1POLBUSP2TSHRKMT2A
SCHEMBL460136 0.84 ALDH1A1 (0.48) ALDH1A1POLBKMT2ACCR3LMNA
SCHEMBL457742 0.84 ALDH1A1 (0.46) HPGDSALDH1A1POLBUSP2TSHR
SCHEMBL459660 0.84 ALDH1A1 (0.46) ALDH1A1POLBTSHRKMT2ACCR3
SCHEMBL459775 0.84 SRD5A2 (0.44) HPGDSALDH1A1POLBUSP2TSHR

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 DRD2 65/4885DRD4 260/4885DRD3 186/4885

“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.