SCHEMBL459399

SCHEMBL459399

Cc1ccnc(C(=O)N2CCC(NC(=O)N3CCC(=Cc4cc(F)ccc4F)CC3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.40
HRH1 P35367 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KMT2A Q03164 2/20 0.38
EPHX2 P34913 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
DHODH Q02127 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGDS O60760 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36

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
SCHEMBL459850 0.88 EPHX2 (0.52) CCR3EPHX2POLB
SCHEMBL459348 0.85 PARP1 (0.43) CCR3HRH1EPHX2CCNT1CDK9
SCHEMBL460042 0.83 KMT2A (0.40) CCR3HRH1USP2TSHRKMT2A
SCHEMBL459909 0.82 CCR3 (0.40) CCR3HRH1OPRM1HPGDS
SCHEMBL460370 0.81 CCR3 (0.51) CCR3KMT2AEPHX2
SCHEMBL459347 0.80 ALDH1A1 (0.45) CCR3USP2TSHRKMT2AEPHX2
SCHEMBL459356 0.80 CCR3 (0.53) CCR3TSHRKMT2AEPHX2
SCHEMBL460548 0.80 EPHX2 (0.53) CCR3USP2KMT2AEPHX2ALDH1A1
SCHEMBL458154 0.80 CCR3 (0.41) CCR3USP2TSHRKMT2AALDH1A1
SCHEMBL460097 0.80 DRD2 (0.42) CCR3USP2TSHRKMT2AALDH1A1

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 CCR3 3502/4885HRH1 2255/4885USP2 2849/4885

“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.