SCHEMBL7183733

SCHEMBL7183733

CC(C)(C)OC(=O)NCCc1cncn1Cc1ccc(C#N)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.46
CYP11B2 P19099 5/20 0.46
CACNA1H O95180 11/20 0.45
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
PGGT1B P53609 2/20 0.45
KCNH2 Q12809 1/20 0.45
TRPA1 O75762 1/20 0.41
EGLN2 Q96KS0 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
SCHEMBL7673651 0.83 CACNA1H (0.45) CACNA1HTRPA1EGLN2
SCHEMBL20141383 0.82 TRPA1 (0.52) CACNA1HTRPA1EGLN2
SCHEMBL7713236 0.81 CYP11B1 (0.70) CYP11B1CYP11B2CACNA1HFNTAFNTB
SCHEMBL7168713 0.80 FNTA (0.45) CYP11B1CYP11B2CACNA1HFNTAFNTB
SCHEMBL5880647 0.79 CYP11B1 (0.61) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7713288 0.79 CYP11B1 (0.54) CYP11B1CYP11B2CACNA1H
SCHEMBL7704743 0.79 CYP11B1 (0.55) CYP11B1CYP11B2CACNA1HFNTAFNTB
SCHEMBL7971164 0.78 CYP11B1 (0.52) CYP11B1CYP11B2CACNA1H
SCHEMBL7709344 0.78 CYP11B1 (0.51) CYP11B1CYP11B2CACNA1H
Lithium Ion SCHEMBL7709340 0.77 CYP11B2 (0.50) CYP11B1CYP11B2CACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 US disclosed
US-20020037888-A1 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease MERCK & CO., INC. 2002-03-28 US disclosed
US-6358985-B1 ANTICANCER AGENT MERCK & CO., INC. 2002-03-19 US disclosed
EP-1091736-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-10-24 EP disclosed
US-6297239-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-10-02 US disclosed
US-6284755-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2001-09-04 US disclosed
EP-1091736-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-18 EP disclosed
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO disclosed
EP-1021188-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-26 EP disclosed
WO-2000034437-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-06-15 WO disclosed
WO-2000001382-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed
WO-1999017777-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 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 (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-20030220241-A1 Method of treating cancer ACP3, PSAT1, LCAT CYP11B1 530/4885CYP11B2 621/4885CACNA1H 4848/4885
US-20020037888-A1 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease FNTA, PKD1, FNTB CYP11B1 3154/4885CYP11B2 3807/4885CACNA1H 4713/4885

“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.