SCHEMBL2401749

SCHEMBL2401749

CCOP(=O)(Cc1cnc2ccccc2c1)OCC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.46
PDE10A Q9Y233 8/20 0.45
TRPV1 Q8NER1 6/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTK2 Q05397 1/20 0.40

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
SCHEMBL25410478 0.79 NPC1 (0.41) NPY5RPDE10ATRPV1RAB9AKMT2A
SCHEMBL31435420 0.79 NPC1 (0.41) NPY5RPDE10ATRPV1RAB9AKMT2A
SCHEMBL31435476 0.77 ALOX15 (0.48) TRPV1RAB9A
SCHEMBL25407989 0.77 ALOX15 (0.48) TRPV1RAB9A
SCHEMBL10331192 0.77 CYP1A2 (0.52) NPY5RRAB9ACYP1A2LMNAPOLB
SCHEMBL2397429 0.77 KDR (0.48) TRPV1RAB9ACYP1A2LMNAPOLB
SCHEMBL17974789 0.77 PDE10A (0.50) NPY5RPDE10ARAB9AKMT2ACYP1A2
SCHEMBL151560 0.74 CYP1A2 (0.57) PDE10ARAB9ACYP1A2LMNAPOLB
SCHEMBL19480370 0.74 PDE10A (0.50) PDE10ARAB9AKMT2ACYP1A2
SCHEMBL7407470 0.74 F2RL3 (0.47) NPY5RRAB9AKMT2ACYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066627-B1 NOVEL MINOR GROOVE BINDERS UNIV STRATHCLYDE (GB) 2013-10-23 EP disclosed
US-8012967-B2 Minor groove binders UNIVERSITY OF STRATHCLYDE (GB) 2011-09-06 US disclosed
US-20100016311-A1 NOVEL MINOR GROOVE BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2010-01-21 US disclosed
EP-2066627-A1 NOVEL MINOR GROOVE BINDERS The University of Strathclyde (GB) 2009-06-10 EP disclosed
WO-2008038018-A1 NOVEL MINOR GROOVE BINDERS UNIVERSITY OF STRATHCLYDE (GB) 2008-04-03 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 (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-20100016311-A1 NOVEL MINOR GROOVE BINDERS TOP2B, DNA2, CTCF NPY5R 2961/4885PDE10A 1242/4885TRPV1 4051/4885

“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.