SCHEMBL3881345

SCHEMBL3881345

C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1cc(-c2ccccc2)nc(N2CCOCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
ATM Q13315 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TRPV1 Q8NER1 3/20 0.48
MTOR P42345 4/20 0.43
HPGD P15428 1/20 0.43
HSD11B1 P28845 3/20 0.42
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3C2B O00750 1/20 0.42

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
SCHEMBL3889211 0.93 TRPV1 (0.46) NPSR1ATMTDP1L3MBTL1TRPV1
SCHEMBL3891337 0.92 TRPV1 (0.46) NPSR1ATMTDP1L3MBTL1TRPV1
SCHEMBL3889723 0.92 TRPV1 (0.55) TRPV1HSD11B1
SCHEMBL3877898 0.91 TRPV1 (0.45) NPSR1ATMTDP1L3MBTL1TRPV1
SCHEMBL13761246 0.91 TRPV1 (0.45) NPSR1ATMTDP1L3MBTL1TRPV1
SCHEMBL3876000 0.90 TDP1 (0.45) NPSR1ATMTDP1L3MBTL1TRPV1
SCHEMBL3887535 0.90 TRPV1 (0.44) NPSR1ATMTDP1L3MBTL1TRPV1
SCHEMBL3888361 0.90 TRPV1 (0.44) NPSR1ATMTDP1L3MBTL1TRPV1
SCHEMBL3883863 0.90 TRPV1 (0.44) NPSR1ATMTDP1L3MBTL1TRPV1
SCHEMBL3996808 0.90 CYP1A2 (0.57) NPSR1TDP1L3MBTL1TRPV1MTOR

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 NPSR1 264/4885ATM 4471/4885TDP1 4230/4885

“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.