SCHEMBL2984071

SCHEMBL2984071

c1cnc2c(c1)CCc1[nH]ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.40
CHRM2 P08172 2/20 0.40
HTR1A P08908 2/20 0.40
CHRM1 P11229 2/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
ADRA1A P35348 2/20 0.40
OPRK1 P41145 2/20 0.40
HTR2B P41595 2/20 0.40
KCNH2 Q12809 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
ADRB2 P07550 1/20 0.39
CHRM4 P08173 1/20 0.39
ABCB1 P08183 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39

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
SCHEMBL6309864 0.80 NUDT1 (0.33) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL6309881 0.76 HRH1 (0.39) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL2988620 0.76
SCHEMBL2981867 0.75 MAPK1 (0.31)
SCHEMBL2991527 0.75 GABRG2 (0.35)
SCHEMBL4095527 0.74 HRH1 (0.49) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL2992691 0.74 AXL (0.36) MEN1KMT2ASLC11A2NUDT1AXL
SCHEMBL9923727 0.74 AXL (0.36) MEN1KMT2ANUDT1AXLPSMD14
SCHEMBL730635 0.74 HRH1 (0.58) HRH1CHRM2HTR1ACHRM1DRD2
SCHEMBL31317931 0.74 HRH1 (0.58) HRH1CHRM2HTR1ACHRM1DRD2

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
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
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-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2013-10-03 US disclosed
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 US disclosed
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS 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 (6 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-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE SLC18A2, SLC18A3, NLN HRH1 2403/4885CHRM2 815/4885HTR1A 187/4885
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC HRH1 1929/4885CHRM2 2529/4885HTR1A 2003/4885
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC HRH1 1929/4885CHRM2 2529/4885HTR1A 2003/4885
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction NCL, PSEN2, CCNO HRH1 2364/4885CHRM2 289/4885HTR1A 1937/4885
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE PSEN2, PSEN1, CLN6 HRH1 850/4885CHRM2 491/4885HTR1A 1013/4885
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 HRH1 1661/4885CHRM2 408/4885HTR1A 1104/4885

“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.