SCHEMBL907656

SCHEMBL907656

CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(F)c(Cl)c3)nc(Cl)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 2/20 0.45
▸ SKP1 P63208 2/20 0.45
▸ SKP2 Q13309 2/20 0.45
▸ SUV39H2 Q9H5I1 3/20 0.45
▸ RET P07949 1/20 0.43
▸ PGK1 P00558 1/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP3A5 P20815 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ NR1H3 Q13133 1/20 0.42
▸ ADK P55263 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL25458542 0.89 MEN1 (0.50) CKS1BSKP1SKP2SUV39H2RET
SCHEMBL25458611 0.85 CKS1B (0.48) CKS1BSKP1SKP2SUV39H2RET
SCHEMBL25460214 0.85 MAPT (0.47) CKS1BSKP1SKP2SUV39H2RET
SCHEMBL4927300 0.84 SUV39H2 (0.41) CKS1BSKP1SKP2SUV39H2RET
SCHEMBL907630 0.84 SUV39H2 (0.41) CKS1BSKP1SKP2SUV39H2RET
SCHEMBL24851455 0.81 CKS1B (0.53) CKS1BSKP1SKP2SUV39H2RET
SCHEMBL25771051 0.79 HRH4 (0.49) CKS1BSKP1SKP2SUV39H2MAPT
SCHEMBL3991539 0.78 CKS1B (0.50) CKS1BSKP1SKP2SUV39H2RET
SCHEMBL24851120 0.78 CKS1B (0.52) CKS1BSKP1SKP2SUV39H2RET
SCHEMBL30161927 0.78 CKS1B (0.52) CKS1BSKP1SKP2SUV39H2RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786800-B1 1,4-Diarylpiperazine derivatives as capsaicin receptor modulators for treating pain NEUROGEN CORP (US) 2017-01-04 — — EP disclosed
EP-1786800-B1 1,4-Diarylpiperazine derivatives as capsaicin receptor modulators for treating pain NEUROGEN CORP (US) 2017-01-04 — — EP disclosed
US-8334382-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2012-12-18 — — US disclosed
US-8334382-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2012-12-18 — — US disclosed
US-8334382-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2012-12-18 — — US disclosed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 — — US disclosed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 — — US disclosed
US-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION 2011-01-06 — — US disclosed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 — — US disclosed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 — — US disclosed
US-7662830-B2 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2010-02-16 — — US disclosed
EP-1786800-A4 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORP (US) 2009-05-06 — — EP 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
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
EP-1786800-A2 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2007-05-23 — — EP disclosed
WO-2006078992-A2 HETEROARYL SUBSTITUTED PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-07-27 — — WO disclosed
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2006-06-08 — — US disclosed
WO-2006026135-A2 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-03-09 — — 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 (3 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-20110003813-A1 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES GPR88, PIGO, PRLHR CKS1B 3182/4885SKP1 4371/4885SKP2 2223/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 CKS1B 3190/4885SKP1 4418/4885SKP2 2259/4885
US-20080124384-A1 Heteroaryl Substituted Piperazinyl-Pyridine Analogues PIGO, GPR52, GPR88 CKS1B 2864/4885SKP1 4359/4885SKP2 2206/4885

“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.

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