SCHEMBL4953344

SCHEMBL4953344

OC[C@H]1CCC[C@H](CO)N1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
AGL P35573 2/20 0.30
GBA2 Q9HCG7 1/20 0.30

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
SCHEMBL2230154 1.00 DPP4 (0.34) DPP4OPRM1OPRD1S1PR2S1PR4
SCHEMBL13069245 1.00 DPP4 (0.34) DPP4OPRM1OPRD1S1PR2S1PR4
SCHEMBL4953332 1.00 DPP4 (0.34) DPP4OPRM1OPRD1S1PR2S1PR4
SCHEMBL25362077 0.87 GLA (0.33) DPP4OPRM1OPRD1
SCHEMBL19914110 0.87 GLA (0.33) DPP4OPRM1OPRD1
SCHEMBL13248929 0.87 FUCA1 (0.37) DPP4S1PR2S1PR4S1PR1S1PR3
SCHEMBL16142831 0.87
SCHEMBL2237799 0.87
Hydrochloric Acid SCHEMBL1409661 0.84 DPP4 (0.35) DPP4OPRM1OPRD1AGLGBA2
SCHEMBL2902379 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US disclosed
US-7109343-B2 Metal catalysts and methods for making and using same THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-09-19 US disclosed
US-7030051-B2 Dirhodium catalyst compositions and methods for using same THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-04-18 US disclosed
US-6962891-B2 Solid support dirhodium catalyst compositions and methods for making and using same THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2005-11-08 US disclosed
US-20050010049-A1 Metal catalysts and methods for making and using same DAVIES HUW M L (US) 2005-01-13 US disclosed
US-6762304-B2 BIS-TRANSITION METAL CATALYSTS HAVING D2 SYMMETRY RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2004-07-13 US disclosed
EP-1173278-B1 METAL CATALYSTS AND METHODS FOR MAKING AND USING SAME RES FOUNDATION OFSTATE UNIVERS (US) 2004-06-30 EP disclosed
US-20030130112-A1 Solid support dirhodium catalyst compositions and methods for making and using same RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2003-07-10 US disclosed
US-20030130536-A1 Dirhodium catalyst compositions and methods for using same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-10 US disclosed
US-20020183535-A1 Metal catalysts and methods for making and using same DAVIES HUW M L (US) 2002-12-05 US disclosed
US-6410746-B1 ORGANOMETALLIC COMPOUND CONTAINING TRANSITION METAL RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE 2002-06-25 US 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-20020183535-A1 Metal catalysts and methods for making and using same COMT, SLC6A3, SLC6A2 DPP4 1699/4885OPRM1 14/4885OPRD1 16/4885
US-20030130112-A1 Solid support dirhodium catalyst compositions and methods for making and using same DOHH, DHODH, HDHD5 DPP4 1922/4885OPRM1 4218/4885OPRD1 3594/4885
US-20030130536-A1 Dirhodium catalyst compositions and methods for using same DOHH, DNPH1, NOTUM DPP4 1112/4885OPRM1 4182/4885OPRD1 2377/4885
US-20050010049-A1 Metal catalysts and methods for making and using same SLC6A3, COMT, DRD4 DPP4 2201/4885OPRM1 8/4885OPRD1 17/4885

“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.