SCHEMBL2486793

SCHEMBL2486793

CC(=O)N1CCN([C@@H]2CCN(C(=O)O)[C@@H](c3ccc(F)cc3C)C2)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.67
CYP3A4 P08684 2/20 0.64
SIGMAR1 Q99720 2/20 0.64
PTAFR P25105 1/20 0.45
OPRL1 P41146 1/20 0.44
SETD2 Q9BYW2 1/20 0.42

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
SCHEMBL5921931 1.00 TACR1 (0.67) TACR1CYP3A4SIGMAR1PTAFROPRL1
SCHEMBL2482970 1.00 TACR1 (0.67) TACR1CYP3A4SIGMAR1PTAFROPRL1
SCHEMBL2482972 1.00 TACR1 (0.67) TACR1CYP3A4SIGMAR1PTAFROPRL1
SCHEMBL2486154 0.90 TACR1 (0.56) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL2489420 0.90 TACR1 (0.56) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL2486156 0.90 TACR1 (0.56) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL2486681 0.89 TACR1 (0.55) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL2486680 0.89 TACR1 (0.55) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL2488000 0.89 TACR1 (0.57) TACR1CYP3A4SIGMAR1PTAFR
SCHEMBL2487374 0.89 TACR1 (0.57) 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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1921064-B1 Pharmaceutical composition GLAXO GROUP LTD (GB) 2010-05-19 EP claimed
US-20100081667-A1 Chemical Compounds ALVARO GIUSEPPE 2010-04-01 US claimed
EP-1921064-A1 Pharmaceutical composition GLAXO GROUP LIMITED (GB) 2008-05-14 EP claimed
EP-1524266-B1 Pharmaceutical composition GLAXO GROUP LTD (GB) 2007-02-28 EP claimed
EP-1752449-A1 Pharmaceutical coposition GLAXO GROUP LIMITED (GB) 2007-02-14 EP claimed
US-7060702-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-06-13 US claimed
CN-1231468-C Chemical compounds GLAXO GROUP LTD (GB) 2005-12-14 CN claimed
US-20050137208-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2005-06-23 US claimed
EP-1524266-A1 Pharmaceutical composition GLAXO GROUP LIMITED (GB) 2005-04-20 EP claimed
EP-1326832-B1 CHEMICAL COMPOUNDS GLAXO GROUP LTD (GB) 2004-10-06 EP claimed
CN-1483025-A Chemical compounds 2004-03-17 CN claimed
US-20040014770-A1 Chemical compounds GLAXO GROUP LIMITED (GB) 2004-01-22 US claimed
EP-1326832-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2003-07-16 EP claimed
WO-2002032867-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-04-25 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
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 (4 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-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-20100081667-A1 Chemical Compounds OPRL1, OPRK1, OPRM1 TACR1 53/4885CYP3A4 141/4885SIGMAR1 98/4885
US-20180021327-A1 TREATMENT OF CORNEAL NEOVASCULARIZATION KDR, BAK1, FLT1 TACR1 119/4885CYP3A4 2405/4885SIGMAR1 929/4885

“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.