SCHEMBL614054

SCHEMBL614054

FC(F)(F)Oc1ccccc1C1=CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.53
HTR1A P08908 6/20 0.53
HTR2A P28223 3/20 0.53
HTT P42858 1/20 0.53
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR6 P50406 1/20 0.47
DRD4 P21917 7/20 0.46
DRD3 P35462 6/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL2396688 0.84 HTR1A (0.57) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL7886668 0.83 DRD2 (0.54) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL3219350 0.82 DRD2 (0.55) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL6929156 0.81 DRD2 (0.60) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL6929163 0.80 DRD2 (0.52) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL6043002 0.80 DRD2 (0.59) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL5537519 0.77 DRD2 (0.48) DRD2HTR1AHTR6DRD4
SCHEMBL2395487 0.77 DRD2 (0.59) DRD2HTR1AHTR2AHTTOPRM1
SCHEMBL5537512 0.77 CCNT1 (0.40) CCNT1CDK9
SCHEMBL11270603 0.76 DRD2 (0.57) DRD2HTR1AHTR2AHTTOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
EP-1917255-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-05-07 EP disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 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 (3 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-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR DRD2 89/4885HTR1A 16/4885HTR2A 25/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR DRD2 89/4885HTR1A 16/4885HTR2A 25/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR DRD2 89/4885HTR1A 16/4885HTR2A 25/4885

“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.