SCHEMBL5619451

SCHEMBL5619451

Cc1cc(F)ccc1[C@H]1C[C@H](N2CCN(C3CC3)C(=O)C2)CCN1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.52
SIGMAR1 Q99720 2/20 0.52
PTAFR P25105 1/20 0.52
CYP3A4 P08684 2/20 0.46

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
SCHEMBL5619731 1.00 TACR1 (0.52) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL5619448 1.00 TACR1 (0.52) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL5618497 0.89 TACR1 (0.49) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL5618546 0.89 TACR1 (0.49) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL5618500 0.89 TACR1 (0.49) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL5618540 0.88 TACR1 (0.47) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL6365455 0.88 TACR1 (0.47) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL5618542 0.88 TACR1 (0.47) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL2486644 0.87 TACR1 (0.67) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL3317448 0.87 TACR1 (0.67) TACR1SIGMAR1PTAFRCYP3A4

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
US-7276509-B2 Piperidine derivatives and their use as antagonists of tachykinins GLAXO GROUP LIMITED (GB) 2007-10-02 US claimed
US-20050096313-A1 Piperidine derivatives and their use as antagonists of tachykinins GLAXO GROUP LIMITED (GB) 2005-05-05 US claimed
EP-1472243-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 2004-11-03 EP claimed
WO-2003066621-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 2003-08-14 WO claimed
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION IRBM SCIENCE PARK S.P.A. (IT) 2018-01-25 US disclosed
US-9782397-B2 Treatment of corneal neovascularization IRBM SCIENCE PARK S.P.A. (IT) 2017-10-10 US disclosed
EP-2729147-B1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION IRBM - SCIENCE PARK S P A (IT) 2017-09-06 EP disclosed
EP-2729147-A1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION Ferrari, Giulio (IT) 2014-05-14 EP disclosed
US-20140128395-A1 Novel Method IRBM SCIENCE PARK S.P.A. (IT) 2014-05-08 US disclosed
WO-2013004766-A1 NK-1 RECEPTOR ANTAGONISTS FOR TREATING CORNEAL NEOVASCULARISATION FERRARI GIULIO (IT) 2013-01-10 WO disclosed
US-7276509-B2 Piperidine derivatives and their use as antagonists of tachykinins GLAXO GROUP LIMITED (GB) 2007-10-02 US disclosed
US-20050096313-A1 Piperidine derivatives and their use as antagonists of tachykinins GLAXO GROUP LIMITED (GB) 2005-05-05 US disclosed
EP-1472243-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 2004-11-03 EP disclosed
WO-2003066621-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 2003-08-14 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-20050096313-A1 Piperidine derivatives and their use as antagonists of tachykinins NPSR1, TACR1, OPRL1 TACR1 2/4885SIGMAR1 27/4885PTAFR 1400/4885
US-20140128395-A1 Novel Method BAK1, VIPR1, BDKRB1 TACR1 38/4885SIGMAR1 656/4885PTAFR 1498/4885
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION KDR, BAK1, FLT1 TACR1 119/4885SIGMAR1 929/4885PTAFR 872/4885

“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.