SCHEMBL3501778

SCHEMBL3501778

N#Cc1ccc(CC(c2cnc[nH]2)N2CCN(C(=O)C(c3ccccc3)C3CCCCC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.46
CYP19A1 P11511 3/20 0.40
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
CPA1 P15085 1/20 0.37
C3AR1 Q16581 2/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 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
SCHEMBL7130693 0.89 DPP4 (0.38) CYP19A1AKT1AKT2AKT3
SCHEMBL7156162 0.82 CYP19A1 (0.42) CYP19A1CPA1
SCHEMBL7188902 0.81 CYP19A1 (0.41) CYP19A1SLC6A2SLC6A4CPA1AKT1
SCHEMBL7452182 0.80 OPRD1 (0.50) CYP19A1SLC6A2SLC6A4CPA1
SCHEMBL3500628 0.79 FNTA (0.54) CYP19A1CPA1
SCHEMBL3515229 0.78 MEN1 (0.42) CYP19A1CPA1
SCHEMBL7587362 0.78 GPR119 (0.38) CHRM3
SCHEMBL7121496 0.77 HRH3 (0.36) CYP19A1CPA1AKT1AKT2AKT3
SCHEMBL7462788 0.76 HRH3 (0.36) CYP19A1CPA1AKT1AKT2AKT3
SCHEMBL7716788 0.76 DPP4 (0.36) CYP19A1CPA1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744751-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-24 EP claimed
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-12-15 US claimed
WO-2005089502-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
US-20030220241-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2003-11-27 US claimed
JP-2002540072-A 2002-11-26 JP claimed
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay ENG WAI-SI (US) 2002-06-13 US claimed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP claimed
US-6358956-B1 IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS MERCK & CO., INC. 2002-03-19 US claimed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP claimed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO claimed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO claimed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO claimed
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2011-12-01 US disclosed
WO-2010057028-A9 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-09-02 WO disclosed
US-20100184803-A1 Treatment of Lysosomal Storage Diseases LINK MEDICINE CORPORATION (MA) 2010-07-22 US disclosed
WO-2010057028-A2 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-05-20 WO 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 (5 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 CHRM3 4641/4885CYP19A1 368/4885SLC6A2 2961/4885
US-20020072081-A1 Geranylgeranyl transferase inhibitor screening assay GGT1, FNTA, GGPS1 CHRM3 4057/4885CYP19A1 2104/4885SLC6A2 2122/4885
US-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 CHRM3 4638/4885CYP19A1 4227/4885SLC6A2 2321/4885
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) SNCA, PARK7, NLN CHRM3 2862/4885CYP19A1 4096/4885SLC6A2 257/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF CHRM3 2527/4885CYP19A1 2681/4885SLC6A2 1727/4885

“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.