SCHEMBL3889211

SCHEMBL3889211

C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1cc(-c2ccc(Cl)cc2)nc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.46
RBP4 P02753 1/20 0.44
MTOR P42345 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 4/20 0.41
KDM4E B2RXH2 1/20 0.41
PIK3R1 P27986 2/20 0.40
PIK3CA P42336 1/20 0.40

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
SCHEMBL3881345 0.93 NPSR1 (0.51) TRPV1MTORTDP1ATMNPSR1
SCHEMBL3877898 0.92 TRPV1 (0.45) TRPV1RBP4TDP1ATMNPSR1
SCHEMBL13761246 0.92 TRPV1 (0.45) TRPV1RBP4TDP1ATMNPSR1
SCHEMBL3889723 0.91 TRPV1 (0.55) TRPV1HSD11B1
SCHEMBL3885547 0.90 TRPV1 (0.45) TRPV1MTORHSD11B1KDM4EPIK3R1
SCHEMBL3876000 0.90 TDP1 (0.45) TRPV1MTORTDP1ATMNPSR1
SCHEMBL3891337 0.89 TRPV1 (0.46) TRPV1MTORTDP1ATMNPSR1
SCHEMBL3889177 0.89 TRPV1 (0.51) TRPV1MTORPIK3CA
SCHEMBL3880923 0.89 TRPV1 (0.45) TRPV1MTORHSD11B1KDM4EPIK3R1
SCHEMBL3882209 0.88 MTOR (0.45) TRPV1MTORTDP1L3MBTL1KDM4E

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 4 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

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 244/4885RBP4 2234/4885MTOR 2949/4885

“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.