SCHEMBL2493693

SCHEMBL2493693

Cn1n[c]cc1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
NOTUM Q6P988 1/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAP4K4 O95819 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
PDE7A Q13946 2/20 0.35
PDE4D Q08499 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 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
SCHEMBL1041158 0.84 ALDH1A1 (0.41) MAPK1TP53ALDH1A1KDM4EHPGD
SCHEMBL2752323 0.82 AHR (0.43) TP53NOTUMALDH1A1KDM4EHPGD
SCHEMBL5331004 0.82 ALDH1A1 (0.41) NR1H2NR1H3ALDH1A1KMT2ARAB9A
SCHEMBL2753284 0.80 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2RAB9AHSD11B1
SCHEMBL2749854 0.76 USP2 (0.46) USP2NOTUMALDH1A1MEN1KMT2A
SCHEMBL2751909 0.74 HSD11B1 (0.50) USP2ALDH1A1HPGDLMNAKMT2A
SCHEMBL2754046 0.74 HSD11B1 (0.39) MAPK1TP53ALDH1A1LMNAPDE4D
SCHEMBL2751797 0.74 METAP2 (0.34)
SCHEMBL2752630 0.73 HSD11B1 (0.35) ALDH1A1LMNAHSD11B1
SCHEMBL2751965 0.71 NOTUM (0.39) NOTUMEGLN2ARHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070088063-A1 Gamma-secretase inhibitors CASTRO PINEIRO JOSE L 2007-04-19 US claimed
US-7183303-B2 Gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2007-02-27 US claimed
US-20050143369-A1 Gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2005-06-30 US claimed
US-8222418-B2 Piperidines and related compounds for the treatment of dementia Merck Sharp + Dohme Corp. (US) 2012-07-17 US disclosed
EP-2001848-B1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF DEMENTIA MERCK SHARP & DOHME (GB) 2011-10-26 EP disclosed
WO-2010069069-A1 CATHEPSIN B INHIBITORS MERCK FROSST CANADA LTD. (CA) 2010-06-24 WO disclosed
US-7728022-B2 (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain MERCK SHARP & DOHME LTD. (GB) 2010-06-01 US disclosed
EP-1656141-B1 TREATMENT FOR ALZHEIMER S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME (GB) 2010-04-14 EP disclosed
US-20100048717-A1 CATHEPSIN B INHIBITORS MERCK FROSST CANADA LTD, Merk & Co., Inc. (US) 2010-02-25 US disclosed
US-20100048555-A1 IMIDAZOTHIAZOLE DERIVATIVES AS MARK INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2010-02-25 US disclosed
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 EP disclosed
EP-1773315-B1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2008-01-16 EP disclosed
US-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2007-10-04 US disclosed
US-20070142453-A1 1-Alkyl-3-thio-substituted indole-2-alkynoic acids useful for the treatment of alzheimer's disease and related conditions BEHER DIRK 2007-06-21 US disclosed
US-20070088063-A1 Gamma-secretase inhibitors CASTRO PINEIRO JOSE L 2007-04-19 US disclosed
EP-1773315-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Limited (GB) 2007-04-18 EP disclosed
US-7183303-B2 Gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2007-02-27 US disclosed
US-20060121034-A1 Treatment for alzheimer's disease and related conditions MERCK SHARP & DOHME LTD. (GB) 2006-06-08 US disclosed
WO-2006008558-A1 ARYLACETIC ACIDS AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-01-26 WO disclosed
US-20050143369-A1 Gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2005-06-30 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 (7 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-20070232678-A1 (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease APP, BACE1, CHAT MAPK1 1566/4885USP2 2700/4885TP53 1962/4885
US-20070142453-A1 1-Alkyl-3-thio-substituted indole-2-alkynoic acids useful for the treatment of alzheimer's disease and related conditions BACE1, PSEN1, APP MAPK1 2019/4885USP2 2352/4885TP53 2711/4885
US-20060121034-A1 Treatment for alzheimer's disease and related conditions IAPP, APP, GHSR MAPK1 1354/4885USP2 1980/4885TP53 1616/4885
US-20100048717-A1 CATHEPSIN B INHIBITORS CTSB, CTSF, CTSS MAPK1 3214/4885USP2 1307/4885TP53 1045/4885
US-20070088063-A1 Gamma-secretase inhibitors BACE1, BACE2, PSEN1 MAPK1 2569/4885USP2 1506/4885TP53 1926/4885
US-20100048555-A1 IMIDAZOTHIAZOLE DERIVATIVES AS MARK INHIBITORS MAPT, MARK1, MARK4 MAPK1 257/4885USP2 2621/4885TP53 490/4885
US-20050143369-A1 Gamma-secretase inhibitors BACE1, BACE2, PSEN1 MAPK1 2569/4885USP2 1506/4885TP53 1926/4885

“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.