SCHEMBL7188902

SCHEMBL7188902

CC(C)(C)C(Cc1ccccc1)C(=O)N1CCN(C(Cc2ccc(C#N)cc2)c2cnc[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
CPA1 P15085 1/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
USP7 Q93009 1/20 0.39
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
AKT3 Q9Y243 1/20 0.38
P2RX7 Q99572 1/20 0.37
CHRM1 P11229 3/20 0.37
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
FNTA P49354 3/20 0.35
FNTB P49356 3/20 0.35
PGGT1B P53609 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PANK3 Q9H999 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
SCHEMBL7156162 0.84 CYP19A1 (0.42) CYP19A1CPA1PANK3
SCHEMBL3500628 0.82 FNTA (0.54) CYP19A1CPA1P2RX7FNTAFNTB
SCHEMBL7132213 0.82 PDK2 (0.37) CYP19A1CPA1PANK3
SCHEMBL7593385 0.81 FNTA (0.38) CYP19A1FNTAFNTBPGGT1B
SCHEMBL3501778 0.81 CHRM3 (0.46) CYP19A1CPA1AKT1AKT2AKT3
SCHEMBL7130693 0.79 DPP4 (0.38) CYP19A1AKT1AKT2AKT3
SCHEMBL7592792 0.79 HRH1 (0.41) CYP19A1P2RX7FNTAFNTBPGGT1B
SCHEMBL3515229 0.79 MEN1 (0.42) CYP19A1CPA1
SCHEMBL7121496 0.79 HRH3 (0.36) CYP19A1CPA1AKT1AKT2AKT3
SCHEMBL7131139 0.79 HRH3 (0.43) CYP19A1CPA1PANK3

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 9 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 claimed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US claimed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO claimed
US-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 US disclosed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 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 (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-20030220241-A1 Method of treating cancer ACP3, PSAT1, LCAT CYP19A1 368/4885CPA1 442/4885HCRTR1 4839/4885

“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.