SCHEMBL7808628

SCHEMBL7808628

CSCC(N)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.67
ANPEP P15144 1/20 0.57
SLC6A4 P31645 3/20 0.56
SLC6A2 P23975 2/20 0.56
TAAR1 Q96RJ0 2/20 0.56
MAOA P21397 1/20 0.56
SLC6A3 Q01959 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
CYP2A6 P11509 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56
CYP2D6 P10635 1/20 0.52
SCN4A P35499 2/20 0.47
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45

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
SCHEMBL19710825 1.00 EPHX1 (0.67) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL989960 0.84 EPHX1 (0.70) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL10005631 0.84 EPHX1 (0.70) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL28656 0.81 EPHX1 (1.00) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL21918912 0.81 EPHX1 (0.64) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL21065978 0.79 EPHX1 (0.61) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL20717822 0.79 EPHX1 (0.61) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL13730908 0.79 EPHX1 (0.61) EPHX1ANPEPSLC6A4SLC6A2TAAR1
Hydrochloric Acid SCHEMBL9402300 0.79 EPHX1 (0.94) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL21510397 0.77 FDPS (0.46) CYP2A6CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212052-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2012-07-03 US disclosed
US-8106082-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-01-31 US disclosed
US-7989484-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-08-02 US disclosed
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-27 US disclosed
US-7834041-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2010-11-16 US disclosed
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-10-29 US disclosed
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-06-11 US disclosed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 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 (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-20090093417-A1 Dual-acting antihypertensive agents AGTR1, REN, AGTR2 EPHX1 1488/4885ANPEP 107/4885SLC6A4 225/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 EPHX1 1488/4885ANPEP 107/4885SLC6A4 225/4885
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN EPHX1 1053/4885ANPEP 55/4885SLC6A4 221/4885
US-20090149521-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 EPHX1 2027/4885ANPEP 96/4885SLC6A4 349/4885

“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.