SCHEMBL3880689

SCHEMBL3880689

CC1CN(c2ncccc2Cl)CCN1c1cc(-c2cccnc2)nc(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.51
HSD11B1 P28845 2/20 0.42
GSK3B P49841 1/20 0.40
PIM1 P11309 2/20 0.40
CHEK1 O14757 1/20 0.39
ATR Q13535 1/20 0.39
PDCD1 Q15116 1/20 0.39
ATRIP Q8WXE1 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SMO Q99835 1/20 0.39
MTOR P42345 1/20 0.38

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
SCHEMBL13761532 1.00 TRPV1 (0.51) TRPV1HSD11B1GSK3BPIM1CHEK1
SCHEMBL14613871 0.91 TRPV1 (0.49) TRPV1HSD11B1GSK3BPIM1
SCHEMBL3880267 0.89 TRPV1 (0.48) TRPV1HSD11B1GSK3BPIM1MTOR
SCHEMBL3881501 0.87 TRPV1 (0.47) TRPV1HSD11B1PIM1MTOR
SCHEMBL13761534 0.87 TRPV1 (0.47) TRPV1HSD11B1PIM1MTOR
SCHEMBL3880039 0.86 TRPV1 (0.50) TRPV1HSD11B1
SCHEMBL3879957 0.86 TRPV1 (0.52) TRPV1HSD11B1
SCHEMBL3877991 0.86 TRPV1 (0.52) TRPV1HSD11B1
SCHEMBL13761507 0.86 TRPV1 (0.52) TRPV1HSD11B1
SCHEMBL3881704 0.84 TRPV1 (0.53) TRPV1HSD11B1

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 2 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-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 244/4885HSD11B1 3915/4885GSK3B 4451/4885

“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.