SCHEMBL4923945

SCHEMBL4923945

CC1CCCN1c1nc(-c2ccc(F)cc2)cc(N2CCC(c3nccn3C)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.44
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAP3K12 Q12852 6/20 0.40
KHK P50053 2/20 0.36
CHRM4 P08173 1/20 0.36
FAAH O00519 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RPS6KB1 P23443 3/20 0.35
AKT1 P31749 1/20 0.34

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
SCHEMBL4923903 0.89 RPS6KB1 (0.39) MAP3K12RPS6KB1AKT1
SCHEMBL4920729 0.88 HSD17B10 (0.47) MAPK1HSD17B10MAP3K12FAAHL3MBTL1
SCHEMBL4928254 0.87 SYK (0.45) SYKMAPK1HSD17B10MAP3K12KHK
SCHEMBL4931945 0.84 PIK3CA (0.46) MAPK1HSD17B10MAP3K12L3MBTL1RPS6KB1
SCHEMBL14184758 0.83 SCN9A (0.42) MAPK1HSD17B10FAAHRPS6KB1AKT1
SCHEMBL4928603 0.82 HSD17B10 (0.41) SYKMAPK1HSD17B10MAP3K12FAAH
SCHEMBL4929606 0.81 HTR2B (0.46) SYKMAPK1HSD17B10MAP3K12KHK
SCHEMBL4930043 0.79 KHK (0.46) SYKMAPK1HSD17B10MAP3K12KHK
SCHEMBL4930822 0.79 HSD17B10 (0.44) SYKMAPK1HSD17B10MAP3K12KHK
SCHEMBL14184766 0.78 MTOR (0.46)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 US disclosed
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 US disclosed
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-05-29 US disclosed
EP-1838703-A2 HETEROARYL SUBSTITUTED PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2007-10-03 EP disclosed
WO-2006078992-A2 HETEROARYL SUBSTITUTED PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-07-27 WO 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-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues PIGO, GPR52, GPR88 SYK 2136/4885MAPK1 3040/4885HSD17B10 3111/4885

“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.