SCHEMBL3879587

SCHEMBL3879587

Cc1cccnc1N1CCN(c2cc(-c3ccc(C(C)C)cc3)nc(N3CCOCC3)n2)[C@H](C)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3CA P42336 5/20 0.39
MTOR P42345 5/20 0.39
MAPT P10636 2/20 0.38
MAP3K12 Q12852 1/20 0.38
APAF1 O14727 1/20 0.38
AVPR1A P37288 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36

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
SCHEMBL3888123 0.92 PIK3CA (0.43) TRPV1KDM4ELMNATDP1L3MBTL1
SCHEMBL3887929 0.92 TRPV1 (0.48) TRPV1KDM4ELMNATDP1L3MBTL1
SCHEMBL3882209 0.91 MTOR (0.45) TRPV1KDM4ELMNATDP1L3MBTL1
SCHEMBL13766119 0.90 TRPV1 (0.43) TRPV1KDM4ELMNATDP1L3MBTL1
SCHEMBL3884732 0.89 TRPV1 (0.42) TRPV1KDM4ELMNATDP1L3MBTL1
SCHEMBL3879904 0.89 TRPV1 (0.43) TRPV1KDM4ELMNATDP1L3MBTL1
SCHEMBL3888782 0.89 PANK3 (0.42) TRPV1KDM4ELMNATDP1L3MBTL1
SCHEMBL3878025 0.88 TRPV1 (0.43) TRPV1KDM4ELMNATDP1L3MBTL1
SCHEMBL3878571 0.88 TRPV1 (0.42) TRPV1KDM4ELMNATDP1L3MBTL1
SCHEMBL3881431 0.87 TRPV1 (0.42) TRPV1KDM4ELMNATDP1L3MBTL1

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 244/4885KDM4E 3890/4885LMNA 2966/4885

“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.