SCHEMBL2993394

SCHEMBL2993394

c1cc2c(cn1)CCc1[nH]ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
NUDT1 P36639 2/20 0.35
IGF1R P08069 1/20 0.33
CDK2 P24941 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
ROCK2 O75116 4/20 0.32
PRKCI P41743 1/20 0.31
MAPK14 Q16539 2/20 0.31
MAPT P10636 1/20 0.31
GCGR P47871 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
CDC7 O00311 1/20 0.30

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
SCHEMBL2991270 0.86 CHRNB2 (0.39) CHRNB2CHRNA4SIGMAR1NUDT1MAPK14
SCHEMBL10142489 0.78 CHRNB2 (0.41) CHRNB2CHRNA4SIGMAR1NUDT1IGF1R
SCHEMBL2989851 0.78
SCHEMBL3091229 0.73 CES1 (0.45)
SCHEMBL2991527 0.72 GABRG2 (0.35)
SCHEMBL9923725 0.71 NUDT1 (0.35) NUDT1IGF1RCDK2DYRK1BPRKCI
SCHEMBL22579806 0.70 SIGMAR1 (0.48) CHRNB2CHRNA4SIGMAR1ROCK2AAK1
SCHEMBL10599 0.69 AAK1 (0.36) NUDT1ROCK2AAK1
SCHEMBL7431568 0.68 PDE3B (0.36) CHRNB2CHRNA4SIGMAR1CDK2DYRK1B
SCHEMBL9923726 0.68 NUDT1 (0.32) NUDT1MAPK14MAPTGCGR

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
US-9034871-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-05-19 US disclosed
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP disclosed
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-09-06 US disclosed
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 US disclosed
CN-101068781-B Compounds for alzheimer's disease MYRIAD GENETICS, INC. (US) 2012-02-01 CN disclosed
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE MYRIAD PHARMACEUTICALS, INC. (US) 2010-07-22 US disclosed
US-7678823-B2 N-phenylindoles; oral dosage forms; side effect reduction Myriad Pharmaceticals, Inc. (US) 2010-03-16 US disclosed
CN-101460164-A Compounds for diseases and disorders MYRIAD GENETICS INC (US) 2009-06-17 CN disclosed
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 US disclosed
EP-2010187-A2 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-01-07 EP disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
CN-101068781-A Compounds for alzheimer's disease MYRIAD GENETICS INC (US) 2007-11-07 CN disclosed
WO-2007115306-A2 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2007-10-11 WO disclosed
EP-1809601-A2 COMPOUNDS FOR ALZHEIMER'S DISEASE MYRIAD GENETICS, INC. (US) 2007-07-25 EP disclosed
WO-2006041874-A2 COMPOUNDS FOR ALZHEIMER'S DISEASE MYRIAD GENETICS, INC. (US) 2006-04-20 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-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC CHRNB2 412/4885CHRNA4 1042/4885SIGMAR1 1191/4885
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC CHRNB2 412/4885CHRNA4 1042/4885SIGMAR1 1191/4885
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction NCL, PSEN2, CCNO CHRNB2 168/4885CHRNA4 303/4885SIGMAR1 2198/4885
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE PSEN2, PSEN1, CLN6 CHRNB2 174/4885CHRNA4 613/4885SIGMAR1 1875/4885
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 CHRNB2 145/4885CHRNA4 499/4885SIGMAR1 2389/4885

“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.