SCHEMBL3499396

SCHEMBL3499396

CN(C)[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2c[nH]cn2)c2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
FNTA P49354 9/20 0.42
FNTB P49356 9/20 0.42
HSD17B10 Q99714 1/20 0.38
CHRM1 P11229 3/20 0.37
HDAC8 Q9BY41 3/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
SCHEMBL3499400 1.00 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IFNTAFNTB
SCHEMBL3502548 0.90 FNTA (0.42) CACNA1GCACNA1HCACNA1IFNTAFNTB
SCHEMBL3502550 0.90 FNTA (0.42) CACNA1GCACNA1HCACNA1IFNTAFNTB
SCHEMBL5823624 0.86 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IFNTAFNTB
SCHEMBL5823620 0.86 CACNA1G (0.44) CACNA1GCACNA1HCACNA1IFNTAFNTB
SCHEMBL6317325 0.81 FNTA (0.41) CACNA1GCACNA1HCACNA1IFNTAFNTB
SCHEMBL6317316 0.81 FNTA (0.41) CACNA1GCACNA1HCACNA1IFNTAFNTB
SCHEMBL3501933 0.81 FNTA (0.54) CACNA1GCACNA1HCACNA1IFNTAFNTB
SCHEMBL3499620 0.79 CACNA1G (0.47) CACNA1GCACNA1HCACNA1IFNTAFNTB
SCHEMBL3501649 0.78 FNTA (0.66) CACNA1GCACNA1HCACNA1IFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO claimed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP claimed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US claimed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP claimed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 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
EP-2155197-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES Link Medicine Corporation (US) 2010-02-24 EP disclosed
WO-2008112525-A2 TREATMENT OF LYSOSOMAL STORAGE DISEASES LINK MEDICINE CORPORATION (US) 2008-09-18 WO disclosed
US-20070293539-A1 Methods for the treatment of synucleinopathies NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-12-20 US disclosed
WO-2005089515-A9 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES BRIGHAM & WOMENS HOSPITAL (US) 2006-01-26 WO disclosed
US-20050272722-A1 Methods for the treatment of synucleinopathies THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-12-08 US disclosed
WO-2005089515-A2 METHODS FOR THE TREATMENT OF SYNUCLEINOPATHIES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2005-09-29 WO disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US 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 (4 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-20050272722-A1 Methods for the treatment of synucleinopathies SNCA, PARK7, NLN CACNA1G 2957/4885CACNA1H 2919/4885CACNA1I 2790/4885
US-20100184803-A1 Treatment of Lysosomal Storage Diseases GAA, GBA1, MAN2B1 CACNA1G 4169/4885CACNA1H 4288/4885CACNA1I 4126/4885
US-20070293539-A1 Methods for the treatment of synucleinopathies SNCA, PARK7, NLN CACNA1G 2957/4885CACNA1H 2919/4885CACNA1I 2790/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF CACNA1G 3980/4885CACNA1H 3852/4885CACNA1I 3454/4885

“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.