SCHEMBL1496791

SCHEMBL1496791

CC(C)(C)Oc1ccc(N)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
POLB P06746 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.46
KEAP1 Q14145 1/20 0.46
BRCA1 P38398 1/20 0.46
HBB P68871 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL12518720 0.81 KDM4E (0.47) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL2303325 0.81 KDM4E (0.50) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL30114254 0.81 KDM4E (0.50) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL9562 0.80 KDM4E (0.46) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL10538 0.80 KDM4E (0.46) KDM4EPOLBRAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL25269873 0.79 KDM4E (0.49) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL3824044 0.78 KDM4E (0.43) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL12364150 0.78 CCR1 (0.44) KDM4EPOLBRAB9AMEN1KMT2A
SCHEMBL113293 0.77
SCHEMBL29536663 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1967519-B1 3,4-DIHYDROBENZOXAZINE COMPOUND AND INHIBITOR OF VANILLOID RECEPTOR TYPE 1 (VR1) ACTIVITY JAPAN TOBACCO INC (JP) 2012-09-05 EP disclosed
US-20110212952-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY JAPAN TOBACCO INC. (JP) 2011-09-01 US disclosed
US-7906508-B2 3,4-dihydrobenzoxazine compounds and inhibitors of vanilloid receptor subtype 1 (VRI) activity JAPAN TOBACCO INC. (JP) 2011-03-15 US disclosed
CN-101351462-A 3,4-dihydrobenzoxazine compound and inhibitor of vanilloid receptor type 1(VR1) activity JAPAN TOBACCO INC (JP) 2009-01-21 CN disclosed
EP-1967519-A1 3,4-DIHYDROBENZOXAZINE COMPOUND AND INHIBITOR OF VANILLOID RECEPTOR TYPE 1 (VR1) ACTIVITY JAPAN TOBACCO INC. (JP) 2008-09-10 EP disclosed
US-20070149517-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY JAPAN TOBACCO INC. (JP) 2007-06-28 US disclosed
US-4004011-A PROLACTIN SECRETION INHIBITORS SANDOZ LTD. (CH) 1977-01-18 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 (2 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-20070149517-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY TRPV3, TRPV1, TRPV5 KDM4E 3274/4885POLB 3992/4885RAB9A 3773/4885
US-20110212952-A1 3,4-DIHYDROBENZOXAZINE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VRI) ACTIVITY TRPV3, TRPV1, TRPV5 KDM4E 3274/4885POLB 3992/4885RAB9A 3773/4885

“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.