SCHEMBL3963514

SCHEMBL3963514

O=CN1CC(c2ccc(C(F)(F)F)cc2)CC(c2ncc(-c3ccccc3)s2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A3 Q01959 4/20 0.37
F2R P25116 5/20 0.36
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
ADRA1B P35368 1/20 0.35
P2RY14 Q15391 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
PAX8 Q06710 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL2929754 0.81 TRPV1 (0.40) TRPV1SLC6A2SLC6A4SLC6A3PSEN1
SCHEMBL641993 0.80 F2R (0.61) TRPV1F2RTACR1
SCHEMBL28580878 0.74 HTR2C (0.47) F2RADRA2ADRD1DRD5ADRA1B
SCHEMBL3970805 0.73 LMNA (0.48)
SCHEMBL3969441 0.69 F2R (0.39) F2RP2RY14HCRTR1HCRTR2
SCHEMBL29844054 0.69 GRIN2B (0.43) F2RADRA2ADRD1DRD5ADRA1B
SCHEMBL3963620 0.69 PPARA (0.49) HDAC6
SCHEMBL3973434 0.69 KMT2A (0.38) F2RUSP30
SCHEMBL3975115 0.68 EPHX2 (0.55) HDAC6
SCHEMBL9894646 0.68 HTR2C (0.40) F2RADRA2ADRD1DRD5ADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER HEALTHCARE AG (DE) 2009-12-10 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-20090306139-A1 HETEROARYL-SUBSTITUTED PIPERIDINES VHL, PIGO, PLIN3 TRPV1 1377/4885SLC6A2 3222/4885SLC6A4 3386/4885

“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.