SCHEMBL7134263

SCHEMBL7134263

N#Cc1ccc(CC(c2cnc[nH]2)N2CCNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
SLC6A4 P31645 5/20 0.46
SLC6A2 P23975 3/20 0.46
CYP19A1 P11511 10/20 0.44
OPRD1 P41143 1/20 0.41
USP2 O75604 1/20 0.37

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
Hydrochloric Acid SCHEMBL7484921 0.99 HRH3 (0.45) HRH3SLC6A4SLC6A2CYP19A1OPRD1
SCHEMBL7452182 0.84 OPRD1 (0.50) HRH3SLC6A4SLC6A2CYP19A1OPRD1
SCHEMBL5552211 0.84 HRH3 (0.41) HRH3SLC6A4CYP19A1
SCHEMBL7156162 0.84 CYP19A1 (0.42) HRH3CYP19A1
SCHEMBL7746101 0.81 CYP19A1 (0.43) HRH3SLC6A4CYP19A1
SCHEMBL7461734 0.79 HRH3 (0.37) HRH3CYP19A1USP2
SCHEMBL7462978 0.79 HRH3 (0.42) HRH3CYP19A1
SCHEMBL7855272 0.79 HRH3 (0.38) HRH3CYP19A1
SCHEMBL7121496 0.79 HRH3 (0.36) HRH3CYP19A1
SCHEMBL7132213 0.79 PDK2 (0.37) HRH3CYP19A1

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-1158983-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2003-05-21 EP disclosed
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 US disclosed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
EP-1158982-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
US-6376496-B1 TREATMENT OF CANCER MERCK & CO., INC. 2002-04-23 US disclosed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US disclosed
US-6355643-B1 ENZYME INHIBITORS, RAS GENES AND PROTEINS MERCK & CO., INC. 2002-03-12 US disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
US-6335343-B1 IMIDAZOL-5-YLALKYLPIPERIZINE DERIVATIVES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-01-01 US disclosed
EP-1158982-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-12-05 EP disclosed
EP-1158983-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-12-05 EP disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed
WO-2000052134-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed
WO-2000051612-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 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-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay GGT1, FNTA, GGPS1 HRH3 4170/4885SLC6A4 2985/4885SLC6A2 2122/4885

“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.