SCHEMBL6170885

SCHEMBL6170885

c1cn(CCC2CCCCN2)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.46
TBXAS1 P24557 7/20 0.45
CYP19A1 P11511 6/20 0.45
HRH3 Q9Y5N1 4/20 0.42
GAA P10253 1/20 0.39
QPCT Q16769 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL11214328 0.95 TBXAS1 (0.44) CYP2B6TBXAS1CYP19A1HRH3GAA
SCHEMBL15670764 0.84 CYP2B6 (0.57) CYP2B6TBXAS1CYP19A1HRH3GAA
SCHEMBL5096971 0.79 CYP2B6 (0.54) CYP2B6TBXAS1CYP19A1
SCHEMBL5096962 0.79 CYP2B6 (0.54) CYP2B6TBXAS1CYP19A1
SCHEMBL18462321 0.79 CYP2B6 (0.54) CYP2B6TBXAS1CYP19A1
SCHEMBL6978422 0.76 CYP19A1 (0.46) CYP2B6TBXAS1CYP19A1HRH3GAA
SCHEMBL11051486 0.75 CYP2B6 (0.68) CYP2B6TBXAS1CYP19A1HRH3GAA
SCHEMBL11050188 0.75 CYP2B6 (0.68) CYP2B6TBXAS1CYP19A1HRH3GAA
Iodide SCHEMBL16164357 0.73 CYP2B6 (0.66) CYP2B6TBXAS1CYP19A1HRH3GAA
SCHEMBL7837812 0.73 HRH3 (0.40) HRH3QPCTCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1285588-C Farnesyl protein transferase inhibitors SCHERING CORP (US) 2006-11-22 CN disclosed
EP-1140904-B1 FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORP (US) 2005-04-20 EP disclosed
US-6800636-B2 FOR THERAPY OF CANCER SCHERING CORPORATION 2004-10-05 US disclosed
US-20030040520-A1 Farnesyl protein transferase inhibitors GUZI TIMOTHY (US) 2003-02-27 US disclosed
CN-1352642-A Farnesyl protein transferase inhibitors SCHERING CORP (US) 2002-06-05 CN disclosed
US-6362188-B1 ANTICANCER AGENTS SCHERING CORPORATION 2002-03-26 US disclosed
EP-1140904-A1 FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000037458-A1 FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2000-06-29 WO disclosed
US-4528195-A Imidazole derivatives and salts thereof, their synthesis and intermediates and pharmaceutical formulations THOROGOOD PETER B (GB) 1985-07-09 US disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed
US-4416895-A ANTICOAGULANTS, ANTISHOCK AGENTS BURROUGHS WELLCOME CO. (US) 1983-11-22 US disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 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-20030040520-A1 Farnesyl protein transferase inhibitors FNTA, FNTB, CETP CYP2B6 3158/4885TBXAS1 810/4885CYP19A1 3546/4885

“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.