SCHEMBL9826727

SCHEMBL9826727

COc1ccc2oc(C(C)N)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.56
TAS1R1 Q7RTX1 8/20 0.56
CA2 P00918 3/20 0.54
APP P05067 2/20 0.53
CYP2A6 P11509 1/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48

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
SCHEMBL20559453 1.00 TAS1R3 (0.56) TAS1R3TAS1R1CA2APPCYP2A6
Hydrochloric Acid SCHEMBL10458712 0.98 TAS1R3 (0.55) TAS1R3TAS1R1CA2APPCYP2A6
SCHEMBL10460824 0.86 CA2 (0.54) CA2APPCYP2A6CA12CA1
SCHEMBL12301434 0.86 CYP2A6 (0.54) TAS1R3TAS1R1CA2APPCYP2A6
SCHEMBL1391306 0.84 MAOA (0.46) TAS1R3TAS1R1
SCHEMBL7922363 0.83 TAS1R3 (0.52) TAS1R3TAS1R1CA2APPCYP2A6
SCHEMBL9827175 0.82 CA12 (0.45) TAS1R3TAS1R1CA12CA1CA9
SCHEMBL12086935 0.82 CA2 (0.50) TAS1R3TAS1R1CA2APPCYP2A6
SCHEMBL12310840 0.80 TAS1R3 (0.50) TAS1R3TAS1R1CA2APPCYP2A6
SCHEMBL10962309 0.78 ADRA2A (0.53) TAS1R3TAS1R1CA2APPCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420944-B2 Voltage-dependent t-type calcium channel blocker NIPPON CHEMIPHAR CO., LTD. (JP) 2022-08-23 US disclosed
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2019-03-14 US disclosed
EP-3404021-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR Nippon Chemiphar Co., Ltd. (JP) 2018-11-21 EP disclosed
EP-0283522-B1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-27 EP disclosed
US-4932998-A LOW PHYTOTOXICITY FOR PADDY RICE PLANTS IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0283522-A1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-09-28 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 (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-11420944-B2 Voltage-dependent t-type calcium channel blocker CACNA1I, CACNA1G, CACNA1E TAS1R3 944/4885TAS1R1 1296/4885CA2 99/4885
US-20190077767-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1E TAS1R3 861/4885TAS1R1 1168/4885CA2 85/4885

“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.