SCHEMBL2206844

SCHEMBL2206844

CCCc1ccc(C(N)=O)c(CCC)c1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.40
CA12 O43570 1/20 0.38
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CNR2 P34972 3/20 0.35
MAPT P10636 2/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADRA2A P08913 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN11 Q06124 1/20 0.33
CNR1 P21554 1/20 0.33

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
Hydrochloric Acid SCHEMBL3355963 0.98 PRKCI (0.39) PRKCICA12ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3352601 0.98 PRKCI (0.39) PRKCICA12ALDH1A1MEN1KMT2A
Acetic Acid SCHEMBL6139766 0.95 PRKCI (0.41) PRKCICA12ALDH1A1MEN1KMT2A
Formamide SCHEMBL6342969 0.94 PRKCI (0.36) PRKCICA12ALDH1A1MEN1KMT2A
SCHEMBL5349926 0.90 PRKCI (0.38) PRKCICA12PTPN1PTPN11
Trifluoroacetic Acid SCHEMBL6647805 0.90 PRKCI (0.34) PRKCICA12ALDH1A1MEN1KMT2A
SCHEMBL7123990 0.86 PRKCI (0.40) PRKCICA12ALDH1A1MEN1KMT2A
SCHEMBL6187624 0.86 ALDH1A1 (0.37) PRKCICA12ALDH1A1MEN1KMT2A
SCHEMBL6675902 0.85 BID (0.43) ALDH1A1MEN1KMT2AHSD17B10CNR2
SCHEMBL11221193 0.84 PPARA (0.46) ALDH1A1MEN1KMT2AHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981913-B2 Isophthalates as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US claimed
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome ELAN PHARMACEUTICALS, INC. 2008-07-03 US claimed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 US claimed
US-7262208-B2 Hydroxypropyl amides for the treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2007-08-28 US claimed
EP-1794114-A1 N-METHYL HYDROXYETHYLAMINE USEFUL IN TREATING CNS CONDITIONS Pfizer Products Incorporated (US) 2007-06-13 EP claimed
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US claimed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 US claimed
WO-2006032999-A1 N-METHYL HYDROXYETHYLAMINE USEFUL IN TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2006-03-30 WO claimed
EP-1299352-B1 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2005-12-28 EP claimed
US-20050203096-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS, INC. 2005-09-15 US claimed
US-20020143177-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-10-03 US claimed
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
US-20020022623-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-21 US claimed
US-20020016320-A1 Compounds to treat alzheimer's disease ELAN PHARMACEUTICALS, INC. 2002-02-07 US claimed
WO-2002002505-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
WO-2002002520-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
WO-2002002518-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
WO-2002002506-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
WO-2001070672-A2 COMPOUNDS AND METHODS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2001-09-27 WO claimed

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-20020143177-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, CHAT PRKCI 4600/4885CA12 890/4885ALDH1A1 247/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP PRKCI 4690/4885CA12 1161/4885ALDH1A1 391/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT PRKCI 4336/4885CA12 1162/4885ALDH1A1 524/4885
US-20050203096-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT PRKCI 4622/4885CA12 965/4885ALDH1A1 321/4885
US-20020016320-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, CHAT PRKCI 4760/4885CA12 1075/4885ALDH1A1 321/4885
US-20020022623-A1 Compounds to treat alzheimer's disease PSEN1, PSEN2, BACE1 PRKCI 4284/4885CA12 959/4885ALDH1A1 165/4885
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome BACE1, APP, BACE2 PRKCI 1616/4885CA12 4081/4885ALDH1A1 2178/4885

“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.