SCHEMBL3878025

SCHEMBL3878025

Cc1cccnc1N1CCN(c2cc(-c3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)[C@H](C)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.43
PIK3CA P42336 4/20 0.39
AVPR1A P37288 1/20 0.39
MTOR P42345 4/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
WDR5 P61964 1/20 0.37

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
SCHEMBL3944144 0.94 PIK3CA (0.41) TRPV1PIK3CAMTORKDM4ELMNA
SCHEMBL3888987 0.93 TRPV1 (0.47) TRPV1PIK3CAMTORWDR5
SCHEMBL13761243 0.93 TRPV1 (0.47) TRPV1PIK3CAMTORWDR5
SCHEMBL3879476 0.93 TRPV1 (0.47) TRPV1PIK3CAMTORWDR5
SCHEMBL3882209 0.92 MTOR (0.45) TRPV1PIK3CAAVPR1AMTORKDM4E
SCHEMBL3881431 0.91 TRPV1 (0.42) TRPV1PIK3CAMTORKDM4ELMNA
SCHEMBL3994402 0.90 TRPV1 (0.49) TRPV1PIK3CAMTORKDM4ELMNA
SCHEMBL3883364 0.90 TRPV1 (0.49) TRPV1PIK3CAMTORKDM4ELMNA
SCHEMBL3943240 0.90 TRPV1 (0.49) TRPV1PIK3CAMTORKDM4ELMNA
SCHEMBL3883895 0.90 PIK3CA (0.45) TRPV1PIK3CAAVPR1AMTORKDM4E

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 244/4885PIK3CA 1107/4885AVPR1A 231/4885

“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.