SCHEMBL481987

SCHEMBL481987

CC1(C)CC(CCc2cnc(N)c(N)n2)CCO1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
GRM4 Q14833 3/20 0.33
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LRRK2 Q5S007 1/20 0.30
ALOX15 P16050 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
SCHEMBL481595 0.79 DAO (0.36) MAPK1
SCHEMBL3954815 0.72 ALDH1A1 (0.41) MAPTRAB9AALDH1A1KDM4EGAA
SCHEMBL26644577 0.67 ALDH1A1 (0.43) MAPTRAB9AALDH1A1KDM4EGAA
SCHEMBL30837753 0.67 ALDH1A1 (0.43) MAPTRAB9AALDH1A1KDM4EGAA
SCHEMBL481935 0.67 CYP11B2 (0.40) MAPK1
Hydrochloric Acid SCHEMBL482132 0.66 ALDH1A1 (0.45) MAPTRAB9AALDH1A1KDM4EGAA
SCHEMBL481577 0.65 MCHR1 (0.39) GRM4
SCHEMBL2200064 0.64 ALDH1A1 (0.43) MAPTRAB9AALDH1A1KDM4EGAA
SCHEMBL2198430 0.64 ALDH1A1 (0.43) MAPTRAB9AALDH1A1KDM4EGAA
SCHEMBL1440711 0.63 ALDH1A1 (0.42) MAPTRAB9AALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP disclosed
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 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 (1 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA MAPT 3460/4885RAB9A 2099/4885ALDH1A1 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.