SCHEMBL3203637

SCHEMBL3203637

N[C@H]1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2ccc(Cl)cc2)C1

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.81
RHOC P08134 6/20 0.56
RHOA P61586 6/20 0.56
TACR3 P29371 1/20 0.48

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
SCHEMBL8300981 1.00 TACR1 (0.81) TACR1RHOCRHOATACR3
SCHEMBL4556039 1.00 TACR1 (0.81) TACR1RHOCRHOATACR3
SCHEMBL8291732 1.00 TACR1 (0.81) TACR1RHOCRHOATACR3
SCHEMBL8297226 0.89 TACR1 (1.00) TACR1RHOCRHOATACR3
SCHEMBL7459083 0.89 TACR1 (1.00) TACR1RHOCRHOATACR3
SCHEMBL8499946 0.88 TACR1 (0.62) TACR1RHOCRHOATACR3
SCHEMBL8296860 0.86 TACR1 (0.75) TACR1RHOCRHOATACR3
SCHEMBL7614360 0.85 TACR1 (0.71) TACR1RHOCRHOATACR3
SCHEMBL7614357 0.85 TACR1 (0.71) TACR1RHOCRHOATACR3
SCHEMBL8500550 0.85 TACR1 (0.71) TACR1RHOCRHOATACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193218-B2 Aroyl-piperidine derivatives and method of treating disorders induced by substance P NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100120852-A1 AROYL-PIPERIDINE DERIVATIVES AND METHOD OF TREATING DISORDERS INDUCED BY SUBSTANCE P NOVARTIS AG (CH) 2010-05-13 US disclosed
US-7678814-B2 Aroyl-piperidine derivatives NOVARTIS AG (CH) 2010-03-16 US disclosed
US-20060135558-A1 Aroyl-piperidine derivatives NOVARTIS AG (CH) 2006-06-22 US disclosed
EP-1539737-A1 AROYL-PIPERIDINE DERIVATIVES Novartis AG (CH) 2005-06-15 EP disclosed
WO-2004024714-A1 AROYL-PIPERIDINE DERIVATIVES NOVARTIS AG (CH) 2004-03-25 WO disclosed
EP-0739892-B1 Chromone derivatives NOVARTIS AG (CH) 2002-09-25 EP disclosed
EP-0783490-B1 1-ACYL-4-ALIPHATIC AMINOPIPERIDINE COMPOUNDS NOVARTIS AG (CH) 2002-02-06 EP disclosed
US-5965562-A TREATING DISORDERS INDUCED BY SUBSTANCE P AND MIGRAINE HEADACHE NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
US-5935951-A ANTAGONIST AGAINST SUBSTANCE P NOVARTIS FINANCE CORPORATION (US) 1999-08-10 US disclosed
EP-0707006-B1 Aroyl-piperidine derivatives NOVARTIS AG (CH) 1999-04-07 EP disclosed
EP-0783490-A1 1-ACYL-4-ALIPHATYLAMINOPIPERIDINE COMPOUNDS Novartis AG (CH) 1997-07-16 EP disclosed
US-5604247-A NEUROKININE ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-02-18 US disclosed
EP-0739892-A2 Chromone derivatives CIBA-GEIGY AG (CH) 1996-10-30 EP disclosed
EP-0707006-A1 Aroyl-piperidine derivatives CIBA-GEIGY AG (CH) 1996-04-17 EP disclosed
WO-1996010562-A1 1-ACYL-4-ALIPHATYLAMINOPIPERIDINE COMPOUNDS NOVARTIS AG (CH) 1996-04-11 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-20060135558-A1 Aroyl-piperidine derivatives NQO2, P2RX5, P2RX4 TACR1 68/4885RHOC 3435/4885RHOA 4348/4885
US-20100120852-A1 AROYL-PIPERIDINE DERIVATIVES AND METHOD OF TREATING DISORDERS INDUCED BY SUBSTANCE P TACR1, OPRK1, OPRD1 TACR1 1/4885RHOC 1954/4885RHOA 2560/4885

“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.