SCHEMBL908219

SCHEMBL908219

C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(-c2ccc(F)cc2)nc(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.48
▸ SMARCA2 P51531 1/20 0.46
▸ SMARCA4 P51532 1/20 0.46
▸ PBRM1 Q86U86 1/20 0.46
▸ GPR119 Q8TDV5 7/20 0.44
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ F2RL1 P55085 2/20 0.41
▸ NTRK1 P04629 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ SETD7 Q8WTS6 1/20 0.40
▸ MET P08581 1/20 0.40

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
SCHEMBL908218 1.00 ABCB1 (0.48) ABCB1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL908127 0.86 ABCB1 (0.45) ABCB1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL908126 0.86 ABCB1 (0.45) ABCB1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL22720337 0.81 ABCB1 (0.45) ABCB1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL22720339 0.81 ABCB1 (0.45) ABCB1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL24851280 0.81 SMARCA2 (0.45) ABCB1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL12486516 0.80 SMARCA2 (0.45) ABCB1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL12486518 0.80 SMARCA2 (0.45) ABCB1SMARCA2SMARCA4PBRM1GPR119
SCHEMBL13501658 0.80 F2RL1 (0.41) HDAC1HDAC2F2RL1
SCHEMBL22724584 0.79 ABCB1 (0.44) ABCB1SMARCA2SMARCA4PBRM1GPR119

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 14 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
EP-1786800-A4 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORP (US) 2009-05-06 — — EP disclosed
EP-1786800-A2 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2007-05-23 — — EP 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 (2 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 ABCB1 717/4885SMARCA2 4017/4885SMARCA4 4229/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 ABCB1 700/4885SMARCA2 4005/4885SMARCA4 4219/4885

“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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