SCHEMBL3148080

SCHEMBL3148080

Cc1cc(F)ccc1[C@H]1C[C@H](N2CCN(C(=O)O)CC2)CCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.88

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.88
CYP3A4 P08684 2/20 0.66
SIGMAR1 Q99720 2/20 0.66
PTAFR P25105 1/20 0.55

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
SCHEMBL2487455 1.00 TACR1 (0.88) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL2487457 1.00 TACR1 (0.88) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627550 0.92 TACR1 (1.00) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627555 0.92 TACR1 (1.00) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13451567 0.92 TACR1 (1.00) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627551 0.92 TACR1 (1.00) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627549 0.91 TACR1 (0.98) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627577 0.91 TACR1 (0.98) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627548 0.91 TACR1 (0.98) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL13627584 0.91 TACR1 (0.98) TACR1CYP3A4SIGMAR1PTAFR

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
EP-1921064-B1 Pharmaceutical composition GLAXO GROUP LTD (GB) 2010-05-19 EP disclosed
US-20100081667-A1 Chemical Compounds ALVARO GIUSEPPE 2010-04-01 US disclosed
US-7648990-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2010-01-19 US disclosed
EP-1921064-A1 Pharmaceutical composition GLAXO GROUP LIMITED (GB) 2008-05-14 EP disclosed
US-20080021041-A1 Chemical Compounds GLAXO GROUP LIMITED (GB) 2008-01-24 US disclosed
US-7294630-B2 Piperazinyl piperidine tachykinin antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-11-13 US disclosed
EP-1524266-B1 Pharmaceutical composition GLAXO GROUP LTD (GB) 2007-02-28 EP disclosed
EP-1752449-A1 Pharmaceutical coposition GLAXO GROUP LIMITED (GB) 2007-02-14 EP disclosed
US-7119092-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-10 US disclosed
US-20060142302-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2006-06-29 US disclosed
US-7060702-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-06-13 US disclosed
US-20050137208-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2005-06-23 US disclosed
EP-1326832-B1 CHEMICAL COMPOUNDS GLAXO GROUP LTD (GB) 2004-10-06 EP disclosed
US-20040014770-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-01-22 US disclosed
EP-1326832-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2003-07-16 EP disclosed
WO-2002032867-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-04-25 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 (5 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-20080021041-A1 Chemical Compounds OPRL1, OPRK1, OPRM1 TACR1 53/4885CYP3A4 141/4885SIGMAR1 98/4885
US-20050137208-A1 Chemical compounds TACR2, TAC3, MC2R TACR1 5/4885CYP3A4 515/4885SIGMAR1 328/4885
US-20040014770-A1 Chemical compounds HCK, KCNK4, GRK4 TACR1 188/4885CYP3A4 148/4885SIGMAR1 434/4885
US-20060142302-A1 Chemical compounds TACR2, TAC3, MC2R TACR1 5/4885CYP3A4 515/4885SIGMAR1 328/4885
US-20100081667-A1 Chemical Compounds OPRL1, OPRK1, OPRM1 TACR1 53/4885CYP3A4 141/4885SIGMAR1 98/4885

“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.