SCHEMBL1760520

SCHEMBL1760520

COC(=O)N(CC(=O)F)C1c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.38
CYP2D6 P10635 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GAA P10253 1/20 0.37
SLC22A2 O15244 1/20 0.36
SLC22A3 O75751 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
MAPT P10636 1/20 0.34
PPIA P62937 2/20 0.33

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
SCHEMBL4600049 0.87 GPR3 (0.41) GPR3KMT2APOLBCYP2D6SLC6A2
SCHEMBL31355068 0.87 GPR3 (0.41) GPR3KMT2APOLBCYP2D6SLC6A2
SCHEMBL27549930 0.82 GPR3 (0.42) GPR3KMT2APOLBCYP2D6SLC6A2
SCHEMBL3060295 0.81 GPR3 (0.34) GPR3KMT2APOLBCYP2D6SLC6A2
SCHEMBL27666697 0.81 GPR3 (0.41) GPR3KMT2APOLBCYP2D6SLC6A2
SCHEMBL948180 0.79 SLC22A2 (0.40) GPR3KMT2APOLBCYP2D6SLC6A2
SCHEMBL3202976 0.79 KMT2A (0.40) GPR3KMT2APOLBCYP2D6SLC6A2
SCHEMBL31355071 0.79 KMT2A (0.40) GPR3KMT2APOLBCYP2D6SLC6A2
SCHEMBL28900959 0.78 CYP2D6 (0.39) GPR3KMT2APOLBCYP2D6SLC6A2
SCHEMBL7389335 0.77 SLC22A2 (0.38) GPR3KMT2APOLBCYP2D6SLC6A2

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-8247432-B2 Tripeptidyl peptidase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-21 US disclosed
US-20110224255-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS BRESLIN HENRY JOSEPH 2011-09-15 US disclosed
US-7947713-B2 (3-(4-phenyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydro-isoquinoline; inactivation of endogenous neuropeptides such as cholecystokinis; eating disorders, obesity, psychotic syndromes and associated psychiatric disorders; chemical intermediates coupling JANSSEN PHARMACEUTICA N.V. (BE) 2011-05-24 US disclosed
US-20080108653-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS BRESLIN HENRY J 2008-05-08 US disclosed
EP-1392291-B1 TRIPEPTIDYL PEPTIDASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2007-05-30 EP disclosed
US-20060276509-A1 Tripeptidyl peptidase inhibitors BRESLIN HENRY J 2006-12-07 US disclosed
US-7125891-B2 Tripeptidyl peptidase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-24 US disclosed
EP-1392291-A2 TRIPEPTIDYL PEPTIDASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-03 EP disclosed
US-20040034089-A1 Tripeptidyl peptidase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-19 US disclosed
WO-2002036116-A9 TRIPEPTIDYL PEPTIDASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2003-05-30 WO disclosed
WO-2002036116-A2 TRIPEPTIDYL PEPTIDASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-10 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-20040034089-A1 Tripeptidyl peptidase inhibitors CCKAR, CCKBR, VIP GPR3 126/4885KMT2A 3544/4885POLB 4443/4885
US-20080108653-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS CCKAR, CCKBR, VIP GPR3 250/4885KMT2A 3763/4885POLB 4714/4885
US-20110224255-A1 TRIPEPTIDYL PEPTIDASE INHIBITORS CCKAR, CCKBR, VIP GPR3 250/4885KMT2A 3763/4885POLB 4714/4885
US-20060276509-A1 Tripeptidyl peptidase inhibitors CCKAR, CCKBR, VIP GPR3 250/4885KMT2A 3763/4885POLB 4714/4885

“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.