SCHEMBL3604900

SCHEMBL3604900

CC1(C)OCCC(N)(c2ccccc2)O1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
PNMT P11086 1/20 0.37
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
ICMT O60725 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL5571900 0.78 HSD11B1 (0.41) TSHRGAACYP1A2ICMTOPRM1
SCHEMBL27360942 0.69 ICMT (0.37) TSHRGAAICMT
SCHEMBL28251031 0.68 DPP4 (0.42) PNMT
SCHEMBL28249607 0.67 TSHR (0.43) TSHRGAACYP1A2ICMTOPRM1
SCHEMBL15630944 0.66 CHRNB2 (0.39) PNMT
SCHEMBL2360103 0.65 OPRM1 (0.41) TSHRPNMTCYP1A2ICMTOPRM1
SCHEMBL10090781 0.65
SCHEMBL28216267 0.64 HTR1A (0.39) PNMT
SCHEMBL15684552 0.63 OPRM1 (0.39) TSHRPNMTCYP1A2ICMTOPRM1
SCHEMBL1664714 0.63 TSHR (0.47) TSHRGAACYP1A2ICMTOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741044-B2 Libraries of oligomers labeled with different tags OXFORD GENE TECHNOLOGY IP LIMITED 2010-06-22 US disclosed
US-20090029866-A1 Libraries of oligomers labeled with different tags OXFORD GENE TECHNOLOGY IP LIMITED 2009-01-29 US disclosed
US-7399846-B2 Libraries of oligomers labeled with different tags OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2008-07-15 US disclosed
US-20050003408-A1 Libraries of oligomers labeled with different tags ISIS INNOVATION LIMITED (GB) 2005-01-06 US disclosed
US-6780981-B1 MAKING A SET OF LABELLED COMPOUNDS BY THE USE OF PARTICULATE SUPPORT, COMPRISES DIVIDING THE SUPPORT INTO LOTS, PERFORMING A DIFFERENT CHEMICAL REACTION ON EACH LOT OF THE SUPPORT OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2004-08-24 US disclosed
EP-1428810-A2 Libraries of oligomers labelled with different tags Oxford Gene Technology IP Limited (GB) 2004-06-16 EP disclosed
EP-1068216-B1 LIBRARIES OF OLIGOMERS LABELLED WITH DIFFERENT TAGS ISIS INNOVATION (GB) 2003-12-10 EP disclosed
EP-1068216-A2 LIBRARIES OF OLIGOMERS LABELLED WITH DIFFERENT TAGS ISIS INNOVATION LIMITED (GB) 2001-01-17 EP disclosed
WO-1999060007-A2 LIBRARIES OF OLIGOMERS LABELLED WITH DIFFERENT TAGS ISIS INNOVATION LIMITED (GB) 1999-11-25 WO disclosed
EP-0246196-A1 Optically active iridium complexes, process for their preparation and their use CIBA-GEIGY AG (CH) 1987-11-19 EP 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 (1 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-20090029866-A1 Libraries of oligomers labeled with different tags FBL, HNRNPL, MTREX TSHR 3462/4885PNMT 747/4885GAA 1696/4885

“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.