SCHEMBL679020

SCHEMBL679020

CN(C)CCCOc1ccc(CC(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.67
KDM4E B2RXH2 3/20 0.61
ALDH1A1 P00352 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
LSS P48449 1/20 0.56
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
LTA4H P09960 1/20 0.50
CACNA1B Q00975 5/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL4544705 0.91 HRH3 (0.66) HRH3KDM4EALDH1A1SMN1; SMN2KEAP1
SCHEMBL678570 0.83 HRH3 (0.56) HRH3KDM4ELTA4HCYP1A2CYP2D6
SCHEMBL9671156 0.83 KDM4E (0.83) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL1908631 0.82 LTA4H (0.50) KDM4EALDH1A1SMN1; SMN2LTA4HCYP1A2
SCHEMBL12775992 0.81 CHRNB2 (0.53) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL12359378 0.80 HRH3 (0.73) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL13958920 0.80 HRH3 (0.63) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL3260775 0.79 HRH3 (0.71) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL110784 0.79 KEAP1 (0.83) HRH3KDM4EALDH1A1SMN1; SMN2LSS
SCHEMBL679055 0.79 KDM4E (0.65) HRH3KDM4EALDH1A1SMN1; SMN2LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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 (2 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 HRH3 485/4885KDM4E 2789/4885ALDH1A1 749/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HRH3 707/4885KDM4E 3026/4885ALDH1A1 148/4885

“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.