SCHEMBL907486

SCHEMBL907486

Cc1cc(Br)cnc1N1CCN[C@H](C)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.41
HRH4 Q9H3N8 3/20 0.41
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
KHK P50053 2/20 0.37
PRKCQ Q04759 1/20 0.37
PRKCD Q05655 1/20 0.37
OPRK1 P41145 3/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
ACVR1 Q04771 1/20 0.35
BCL2A1 Q16548 2/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL907485 1.00 KIT (0.41) KITHRH4PIM1PIM3PIM2
SCHEMBL20135325 0.85 KIT (0.43) KITHRH4PIM1PIM3PIM2
SCHEMBL20134990 0.85 KIT (0.43) KITHRH4PIM1PIM3PIM2
SCHEMBL29688471 0.85 KIT (0.43) KITHRH4PIM1PIM3PIM2
SCHEMBL20135002 0.85 KIT (0.43) KITHRH4PIM1PIM3PIM2
SCHEMBL907759 0.84 HRH4 (0.45) KITHRH4PIM1PIM3PIM2
SCHEMBL907761 0.84 HRH4 (0.45) KITHRH4PIM1PIM3PIM2
Hydrochloric Acid SCHEMBL29688550 0.84 KIT (0.42) KITHRH4PIM1PIM3PIM2
SCHEMBL2366907 0.82 HRH4 (0.48) HRH4
SCHEMBL4920049 0.79 HDAC1 (0.42) KITHRH4PIM1PIM3PIM2

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 22 patents — showing the first 20. 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-1824490-A4 PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORP (US) 2008-06-04 EP disclosed
US-20080045525-A1 Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-02-21 US disclosed
US-20080045525-A1 Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-02-21 US disclosed
US-20080045525-A1 Piperazinyl-Pyridine Analogues NEUROGEN CORPORATION 2008-02-21 US disclosed
CN-101080228-A Piperazinyl-pyridine analogues NEUROGEN CORP (US) 2007-11-28 CN disclosed
EP-1824490-A1 PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2007-08-29 EP disclosed
EP-1786800-A2 SUBSTITUTED BIARYL PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2007-05-23 EP disclosed
WO-2006065872-A1 PIPERAZINYL-PYRIDINE ANALOGUES NEUROGEN CORPORATION (US) 2006-06-22 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 KIT 143/4885HRH4 31/4885PIM1 3701/4885
US-20060122394-A1 Substituted biaryl piperazinyl-pyridine analogues GPR88, PRLHR, GPR68 KIT 156/4885HRH4 30/4885PIM1 3768/4885
US-20080045525-A1 Piperazinyl-Pyridine Analogues PRLHR, GPR27, GPR68 KIT 147/4885HRH4 16/4885PIM1 2431/4885

“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.