SCHEMBL489527

SCHEMBL489527

CCCCCNCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.49
AGTR2 P50052 1/20 0.49
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
AGT P01019 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
HSD11B1 P28845 1/20 0.36
MAOA P21397 1/20 0.36
PARP1 P09874 1/20 0.36
THRB P10828 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
SCHEMBL3950208 0.99 AGTR1 (0.49) AGTR1AGTR2HRH4HRH3AGT
SCHEMBL9541811 0.97 AGTR1 (0.50) AGTR1AGTR2HRH4HRH3AGT
SCHEMBL8532808 0.93 AGTR1 (0.51) AGTR1AGTR2HRH4HRH3AGT
SCHEMBL9093218 0.87 AGTR1 (0.48) AGTR1AGTR2AGTSMN1; SMN2LMNA
SCHEMBL4672053 0.85 AGTR1 (0.47) AGTR1AGTR2AGTHSD11B1
SCHEMBL4554761 0.84 AGTR1 (0.44) AGTR1AGTR2AGTPDCD1CD274
SCHEMBL3948155 0.82 LTB4R2 (0.57) AGTR1AGTR2AGT
SCHEMBL13679199 0.82 AGTR1 (0.47) AGTR1AGTR2AGT
SCHEMBL13146764 0.82 AGTR1 (0.55) AGTR1AGTR2AGTLMNAHSD11B1
SCHEMBL488980 0.80 AGTR1 (0.50) AGTR1AGTR2HRH4HRH3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236839-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-08-07 US disclosed
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-04-12 US disclosed
US-8106082-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-01-31 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
EP-2200975-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2010-06-30 EP disclosed
US-7531576-B2 Biphenyl derivatives POLA CHEMICAL INDUSTRIES, INC. (JP) 2009-05-12 US disclosed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 US disclosed
WO-2009035543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-03-19 WO disclosed
EP-1354871-B1 BIPHENYL DERIVATIVES POLA PHARMA INC (JP) 2008-02-20 EP disclosed
US-20040048909-A1 N-alkyl-N-(p-substituted-phenyl)benzylamine that is N-substituted with carbocyclic aminocarbonylalkylene, aminocarbonyl, or aminocarbonylaminosulfonyl; ACAT inhibitors; treating e.g.,hypercholesterolemia and atherosclerosis POLA CHEMICAL INDUSTRIES, INC. (JP) 2004-03-11 US disclosed
EP-1354871-A1 BIPHENYL DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-10-22 EP disclosed
US-5312820-A Angiotensin antagonist for treatment of hypertension MERCK & CO., INC. (US) 1994-05-17 US disclosed
WO-1993017682-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 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-20090093417-A1 Dual-acting antihypertensive agents AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885HRH4 201/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885HRH4 201/4885
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885AGTR2 3/4885HRH4 201/4885
US-20040048909-A1 N-alkyl-N-(p-substituted-phenyl)benzylamine that is N-substituted with carbocyclic aminocarbonylalkylene, aminocarbonyl, or aminocarbonylaminosulfonyl; ACAT inhibitors; treating e.g.,hypercholesterolemia and atherosclerosis ACAT2, LCAT, NAT1 AGTR1 249/4885AGTR2 272/4885HRH4 187/4885

“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.