SCHEMBL792219

SCHEMBL792219

CN(CCN1CCCCC1)Cc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.71
HRH3 Q9Y5N1 1/20 0.61
SLC6A3 Q01959 1/20 0.53
MAOB P27338 1/20 0.53

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
Hydrochloric Acid SCHEMBL8694185 0.98 SIGMAR1 (0.69) SIGMAR1HRH3SLC6A3MAOB
SCHEMBL13306955 0.98 SIGMAR1 (0.73) SIGMAR1HRH3SLC6A3MAOB
SCHEMBL2353465 0.90 SIGMAR1 (0.59) SIGMAR1HRH3MAOB
Hydrochloric Acid SCHEMBL7255708 0.89 SIGMAR1 (0.58) SIGMAR1HRH3MAOB
SCHEMBL791606 0.85 SIGMAR1 (0.97) SIGMAR1SLC6A3
SCHEMBL12642486 0.84 SIGMAR1 (0.70) SIGMAR1SLC6A3
SCHEMBL18772837 0.83 SIGMAR1 (0.74) SIGMAR1HRH3SLC6A3
SCHEMBL7332913 0.83 SIGMAR1 (1.00) SIGMAR1SLC6A3
SCHEMBL13675505 0.83 SIGMAR1 (0.71) SIGMAR1
SCHEMBL19040059 0.83 SIGMAR1 (0.55) SIGMAR1HRH3MAOB

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-0655056-B1 AZACYCLYL-TERMINATED N-(DIHYDROXY ALKYL)-ETHYNYL-ALANINE AMIDES FOR TREATMENT OF HYPERTENSION SEARLE & CO (US) 1999-12-01 EP disclosed
US-5780494-A RENIN INHIBITOR G. D. SEARLE & CO. (US) 1998-07-14 US disclosed
US-5760035-A PIPERIDINE COMPOUNDS SUBSTITUTED WITH AN AMINOALKYL GROUP AND AN ARYLOXYALKYL GROUP, ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, IMMUNOSUPPRESSANTS KNOLL AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed
EP-0655056-A1 PIPERIDINYL-TERMINATED N-(DIHYDROXY ALKYL)-ETHYNYL-ALANINE AMIDES FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1995-05-31 EP disclosed
US-5385898-A Hypertensive agents; cardiovascular disorders; renin inhibitors; glaucoma G.D. SEARLE & CO. (US) 1995-01-31 US disclosed
US-5304552-A Renin inhibitors G.D. SEARLE & CO. (US) 1994-04-19 US disclosed
WO-1994004495-A1 PIPERIDINYL-TERMINATED N-(DIHYDROXY ALKYL)-ETHYNYL-ALANINE AMIDES FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1994-03-03 WO disclosed
US-5212185-A Enzyme inhibitors G. D. SEARLE & CO. (US) 1993-05-18 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 SIGMAR1 3155/4885HRH3 4130/4885SLC6A3 2991/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SIGMAR1 3155/4885HRH3 4130/4885SLC6A3 2991/4885

“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.