SCHEMBL3321784

SCHEMBL3321784

CC(C)(C)N(CCCCCN1CCCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.44
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL22034009 0.79 MEN1 (0.41) SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL15263236 0.73 FFAR1 (0.38) SMN1; SMN2ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL11060568 0.73 FFAR1 (0.38) SMN1; SMN2ALDH1A1KDM4EL3MBTL1TDP1
SCHEMBL2956414 0.72 SIGMAR1 (0.40) SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL40197 0.72 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTKDM4ETDP1
SCHEMBL16401965 0.72 MEN1 (0.31) ALDH1A1L3MBTL1
SCHEMBL1003534 0.72 MEN1 (0.31) ALDH1A1L3MBTL1
SCHEMBL22321638 0.72 MEN1 (0.31) L3MBTL1
SCHEMBL2121005 0.72 CHRM2 (0.41) CYP1A2ALDH1A1ALOX15
SCHEMBL2174381 0.72 CHRM2 (0.41) CYP1A2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120803-A1 3,4-DIHYDROQUINAZOLINE DERIVATIVES DONGWOO SYNTECH CO., LTD. (KR) 2010-05-13 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-20100120803-A1 3,4-DIHYDROQUINAZOLINE DERIVATIVES CACNA1I, CACNA1G, CACNA1H HRH3 1277/4885CYP1A2 1720/4885MAPK1 2993/4885

“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.