SCHEMBL3880914

SCHEMBL3880914

Cc1cccnc1N1CCN(c2cc(-c3ccc(F)c(Cl)c3)nc(N(C)[C@@H](C)CO)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
AVPR1A P37288 2/20 0.35
TRPV3 Q8NET8 2/20 0.35
PARP1 P09874 1/20 0.35
GRM5 P41594 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
AOC3 Q16853 1/20 0.33
SMO Q99835 2/20 0.33
MC4R P32245 2/20 0.33
DRD4 P21917 2/20 0.33
DRD2 P14416 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL13761617 1.00 TRPV1 (0.35) TRPV1AVPR1ATRPV3PARP1GRM5
SCHEMBL3879463 0.90 HSD11B1 (0.42) TRPV1
SCHEMBL13761493 0.84 GALR2 (0.40) TRPV1GRM5
SCHEMBL3886728 0.84 MALT1 (0.41) TRPV1MALT1
SCHEMBL3884036 0.81 TRPV1 (0.45) TRPV1GRM5
SCHEMBL13761547 0.81 TRPV1 (0.45) TRPV1GRM5
SCHEMBL3889310 0.80 TRPV1 (0.41) TRPV1GRM5MALT1L3MBTL1
SCHEMBL3889392 0.80 HSD11B1 (0.47) TRPV1
SCHEMBL3880241 0.80 MALT1 (0.43) TRPV1MALT1
SCHEMBL3891315 0.77 MALT1 (0.41) TRPV1MALT1

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-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 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 (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-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG TRPV1 244/4885AVPR1A 231/4885TRPV3 404/4885

“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.