SCHEMBL20780397

SCHEMBL20780397

Cc1cc(C)c2c(c1)CCCCN2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
PARP1 P09874 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
TP53 P04637 1/20 0.33
ACHE P22303 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL15338767 0.94 ALDH1A1 (0.40) HRH3ALDH1A1MAPTNPSR1POLB
SCHEMBL14943772 0.86 NPSR1 (0.38) HRH3ALDH1A1MAPTNPSR1POLB
SCHEMBL12330396 0.76 NOTUM (0.39) ALDH1A1MAPTNPSR1MEN1GAA
SCHEMBL19908532 0.76 HRH3 (0.37) HRH3ALDH1A1MAPTNPSR1POLB
SCHEMBL23729550 0.76 HRH3 (0.42) HRH3ALDH1A1MAPTNPSR1POLB
SCHEMBL21923271 0.75 KMT2A (0.47) ALDH1A1MAPTNPSR1POLBHTT
SCHEMBL9675977 0.73 ALDH1A1 (0.49) ALDH1A1MAPTPOLBSMN1; SMN2MEN1
SCHEMBL9677304 0.73 KMT2A (0.36) HRH3ALDH1A1MAPTNPSR1POLB
SCHEMBL12956157 0.73 ALDH1A1 (0.46) HRH3ALDH1A1MAPTNPSR1POLB
SCHEMBL14256038 0.72 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019043018-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH (CH) 2019-03-07 WO disclosed
US-20160115139-A1 PROCESS FOR MAKING BENZOXAZINES CYTEC INDUSTRIES INC. (US) 2016-04-28 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-20160115139-A1 PROCESS FOR MAKING BENZOXAZINES XDH, AFF1, TYR HRH3 277/4885ALDH1A1 986/4885MAPT 3574/4885

“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.