SCHEMBL3880819

SCHEMBL3880819

Cc1ccc(-c2cc(N3CCN(c4nccnc4Cl)C[C@H]3C)nc(N3CCC[C@H]3C)n2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
TRPV1 Q8NER1 4/20 0.37
MAP3K12 Q12852 4/20 0.37
PDPK1 O15530 1/20 0.36
TGFBR1 P36897 1/20 0.36
AURKB Q96GD4 1/20 0.36
KHK P50053 3/20 0.35
EGLN2 Q96KS0 1/20 0.34
HSD11B1 P28845 1/20 0.34
SYK P43405 2/20 0.33
SMO Q99835 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
SCHEMBL3880654 1.00 DGAT1 (0.37) DGAT1TRPV1MAP3K12PDPK1TGFBR1
SCHEMBL13761556 0.94 TRPV1 (0.37) DGAT1TRPV1MAP3K12PDPK1TGFBR1
SCHEMBL3882737 0.94 TRPV1 (0.37) DGAT1TRPV1MAP3K12PDPK1TGFBR1
SCHEMBL13761505 0.94 MAP3K12 (0.38) TRPV1MAP3K12PDPK1TGFBR1AURKB
SCHEMBL3883516 0.94 MAP3K12 (0.38) TRPV1MAP3K12PDPK1TGFBR1AURKB
SCHEMBL3888291 0.94 MAP3K12 (0.38) TRPV1MAP3K12PDPK1TGFBR1AURKB
SCHEMBL3890901 0.94 MAP3K12 (0.38) TRPV1MAP3K12PDPK1TGFBR1AURKB
SCHEMBL3877264 0.94 MAP3K12 (0.38) TRPV1MAP3K12PDPK1TGFBR1AURKB
SCHEMBL3882736 0.94 MAP3K12 (0.38) TRPV1MAP3K12PDPK1TGFBR1AURKB
SCHEMBL3878522 0.93 MAP3K12 (0.37) TRPV1MAP3K12PDPK1TGFBR1AURKB

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 DGAT1 4503/4885TRPV1 244/4885MAP3K12 2603/4885

“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.