SCHEMBL3499753

SCHEMBL3499753

N#Cc1ccc(CC(c2ncc[nH]2)N2CCN(c3cccc(OC(F)(F)F)c3)C(=O)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
KCNH2 Q12809 3/20 0.38
FNTA P49354 9/20 0.37
FNTB P49356 8/20 0.37
PGGT1B P53609 6/20 0.37
NRAS P01111 1/20 0.37
HRAS P01112 1/20 0.37
NR1H4 Q96RI1 1/20 0.34
CYP19A1 P11511 3/20 0.33
KCNN4 O15554 1/20 0.33
GCGR P47871 1/20 0.33
TDP2 O95551 1/20 0.32

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
SCHEMBL7665102 0.88 FNTA (0.39) DRD2DRD3KCNH2FNTAFNTB
SCHEMBL7455907 0.87 FNTA (0.49) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3499315 0.86 FNTA (0.40) DRD2DRD3KCNH2FNTAFNTB
Hydrochloric Acid SCHEMBL5891604 0.86 FNTA (0.49) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3499596 0.86 FNTA (0.40) DRD2DRD3KCNH2FNTAFNTB
Hydrochloric Acid SCHEMBL7182165 0.86 FNTA (0.49) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL8126797 0.85 FNTA (0.44) DRD2DRD3KCNH2FNTAFNTB
SCHEMBL3502019 0.79 FNTA (0.48) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3499466 0.77 HSD17B10 (0.38) FNTAFNTBNR1H4CYP19A1
SCHEMBL3500646 0.75 FNTA (0.45) DRD2DRD3KCNH2FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-12-15 US claimed
EP-1019529-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2002-09-11 EP claimed
US-6387903-B1 ANTICANCER AGENT; CARDIOVASCULAR DISORDERS; VIRICIDES MERCK & CO., INC. 2002-05-14 US claimed
JP-2001518281-A 2001-10-16 JP claimed
EP-1019530-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP claimed
EP-1019529-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP claimed
EP-1014984-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-05 EP claimed
EP-1009854-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-06-21 EP claimed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
WO-1999010523-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
WO-1999009985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-03-04 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
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999010523-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999009985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-03-04 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 (3 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-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 DRD2 4863/4885DRD3 4827/4885KCNH2 4630/4885
US-20050277629-A1 Methods for the treatment of synucleinopathies (Lansbury) SNCA, PARK7, NLN DRD2 4305/4885DRD3 3774/4885KCNH2 4194/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF DRD2 4079/4885DRD3 3666/4885KCNH2 4780/4885

“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.