SCHEMBL3880667

SCHEMBL3880667

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.44
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
GRM1 Q13255 1/20 0.41
PIK3CA P42336 3/20 0.40
SLC2A2 P11168 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PIK3CD O00329 3/20 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
SCHEMBL3888782 0.92 PANK3 (0.42) MTORKDM4EL3MBTL1TRPV1GRM1
SCHEMBL3878569 0.92 PIK3CD (0.42) MTORKDM4EL3MBTL1GRM1PIK3CA
SCHEMBL3877311 0.90 TRPV1 (0.43) MTORTRPV1GRM1PIK3CAALDH1A1
SCHEMBL3876031 0.90 GRM1 (0.40) MTORGRM1PIK3CAALDH1A1MAPT
SCHEMBL3880046 0.89 GRM1 (0.40) MTORKDM4ETRPV1GRM1PIK3CA
SCHEMBL3878243 0.89 GRM1 (0.40) MTORGRM1PIK3CAALDH1A1MAPT
SCHEMBL3889177 0.89 TRPV1 (0.51) MTORTRPV1PIK3CA
SCHEMBL3880084 0.89 GRM1 (0.39) MTORGRM1PIK3CAALDH1A1MAPT
SCHEMBL3882209 0.88 MTOR (0.45) MTORKDM4EL3MBTL1TRPV1PIK3CA
SCHEMBL3880985 0.88 DGAT1 (0.41) MTORGRM1PIK3CAPIK3CD

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 MTOR 2949/4885KDM4E 3890/4885L3MBTL1 4028/4885

“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.