SCHEMBL6174188

SCHEMBL6174188

c1cn(CCCC2CCNCC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.52
CYP2B6 P20813 1/20 0.44
CYP19A1 P11511 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
HRH4 Q9H3N8 1/20 0.41
PRKCI P41743 1/20 0.41
QPCT Q16769 2/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL8164980 0.90 CYP2B6 (0.46) TBXAS1CYP2B6CYP19A1HRH3HRH4
Hydrochloric Acid SCHEMBL10845833 0.87 CYP2B6 (0.44) TBXAS1CYP2B6CYP19A1HRH3QPCT
SCHEMBL11047220 0.85 CYP2B6 (0.61) TBXAS1CYP2B6CYP19A1HRH3HRH4
SCHEMBL10844142 0.84 CYP2B6 (0.49) TBXAS1CYP2B6CYP19A1HRH3HRH4
SCHEMBL7217111 0.83 TBXAS1 (0.41) TBXAS1CYP2B6CYP19A1QPCTGAA
SCHEMBL24833975 0.83 CYP2B6 (0.64) TBXAS1CYP2B6CYP19A1HRH3HRH4
SCHEMBL11049587 0.83 CYP2B6 (0.64) TBXAS1CYP2B6CYP19A1HRH3HRH4
SCHEMBL1088292 0.80 CYP2B6 (0.68) TBXAS1CYP2B6CYP19A1
SCHEMBL16163635 0.79 CYP2B6 (0.62) TBXAS1CYP2B6CYP19A1HRH3HRH4
SCHEMBL13350294 0.77 TBXAS1 (0.54) TBXAS1CYP2B6CYP19A1HRH3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-4605744-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1986-08-12 US disclosed
US-4537969-A AZOLE-SUBSTITUTED SATURATED HETEROCYCLIC CARBOXALDEHYDE ACETALS;INTERMEDIATES FOR 6-AMIDINOPENICILLINS HOFFMANN-LA ROCHE INC. (US) 1985-08-27 US disclosed
EP-0148283-A1 Novel penicillanic acid derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-07-17 EP disclosed
US-4431653-A ANTIBIOTICS; BACTERICIDES; SSYNERGISTIC WITH AMINO ACID DERIVATIVE HOFFMANN-LA ROCHE INC. (US) 1984-02-14 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 (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 TBXAS1 810/4885CYP2B6 3158/4885CYP19A1 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.