SCHEMBL3998397

SCHEMBL3998397

CCc1c(C2=CCN(CCC(S)c3cccc(C(F)(F)F)c3)CC2)c2ccc(F)cc2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.37
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
SOS1 Q07889 1/20 0.33
TACR1 P25103 2/20 0.33
GRIN2B Q13224 1/20 0.33
SLC6A2 P23975 2/20 0.32
MC4R P32245 1/20 0.32
CCR3 P51677 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM3 P20309 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRL1 P41146 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR1D P28221 1/20 0.31

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
SCHEMBL3992987 0.83 HTR6 (0.41) HTR7PPARGPPARATACR1CCR3
SCHEMBL4001588 0.79 CCR3 (0.54) TACR1CCR3DRD2
SCHEMBL13797762 0.76 CCR3 (0.54) HTR7CCR3HTR1ADRD2
SCHEMBL3993970 0.72 CCR3 (0.42) CCR3MEN1KMT2AHTR1DHTR1A
SCHEMBL3997089 0.71 CCR3 (0.61) HTR7CCR3HTR1ADRD2
SCHEMBL3995001 0.70 CCR3 (0.41) HTR7CCR3MEN1KMT2AHTR1D
SCHEMBL4589309 0.65 HTR7 (0.53) HTR7PPARGPPARAOPRM1OPRD1
SCHEMBL11278195 0.63 HTR7 (0.55) HTR7PPARGPPARAKDM4EMEN1
SCHEMBL4588325 0.61 HTR7 (0.49) HTR7PPARGPPARATACR1OPRM1
SCHEMBL11269207 0.61 HTR7 (0.60) HTR7PPARGPPARAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1687294-B1 NOVEL PIPERIDINE-SUBSTITUTED INDOLES-OR HETERO-DERIVATIVES THEREOF AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR (CCR-3) BOEHRINGER INGELHEIM INT (DE) 2014-05-21 EP disclosed
US-7544806-B2 Piperidine-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-09 US disclosed
US-20050153979-A1 Novel piperidine-substituted indoles-or heteroderivatives thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 US 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-20050153979-A1 Novel piperidine-substituted indoles-or heteroderivatives thereof CCR3, CCR1, CCR2 HTR7 361/4885PPARG 1888/4885PPARA 1849/4885

“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.