SCHEMBL5982010

SCHEMBL5982010

[c]1cn(CCC(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.54
CYP2D6 P10635 1/20 0.41
HRH1 P35367 5/20 0.39
HTR2A P28223 4/20 0.39
SIGMAR1 Q99720 1/20 0.39
KCNA3 P22001 1/20 0.38
OPRL1 P41146 1/20 0.36
CCR2 P41597 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5983243 0.90 CYP19A1 (0.56) CYP19A1CYP2D6HRH1HTR2ASIGMAR1
SCHEMBL287568 0.71 CYP11B1 (0.48) CYP19A1CYP2D6SIGMAR1ALDH1A1
SCHEMBL5303970 0.70 CYP19A1 (1.00) CYP19A1CYP2D6
SCHEMBL5983077 0.67 CYP19A1 (0.41) CYP19A1CYP2D6HRH1HTR2ASIGMAR1
SCHEMBL3290730 0.65 HRH1 (0.68) CYP2D6HRH1HTR2ASIGMAR1ALDH1A1
SCHEMBL2732016 0.62 HRH1 (0.65) CYP2D6HRH1HTR2ASIGMAR1ALDH1A1
SCHEMBL844862 0.62 HRH1 (0.65) CYP2D6HRH1HTR2ASIGMAR1ALDH1A1
SCHEMBL27321444 0.62 HRH1 (0.65) CYP2D6HRH1HTR2ASIGMAR1ALDH1A1
SCHEMBL5738018 0.61 HRH1 (0.56) CYP19A1CYP2D6HRH1HTR2ASIGMAR1
SCHEMBL9073997 0.60 HRH1 (0.71) CYP19A1HRH1HTR2ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1634888-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2006-03-15 EP disclosed
EP-1600452-A2 Synthesis of 2'-deoxy-L-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
EP-1600451-A2 Synthesis of 2'-deoxy-l-nucleosides Pharmasset Limited (US) 2005-11-30 EP disclosed
US-20050090660-A1 2'-deoxy-L-nucleosides PHARMASSET, INC. 2005-04-28 US disclosed
EP-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0552765-B1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation THOMAE GMBH DR K (DE) 1996-08-14 EP disclosed
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 US disclosed
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 EP disclosed
EP-0556789-A2 Substituted biphenyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-25 EP disclosed
EP-0552765-A1 Benzimidazoles, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-07-28 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 (1 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-20050090660-A1 2'-deoxy-L-nucleosides CCNH, ADAR, NSUN2 CYP19A1 3440/4885CYP2D6 2064/4885HRH1 265/4885

“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.