SCHEMBL772068

SCHEMBL772068

CCOC(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CCCC(=O)N1CCCC2CCCC=C21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
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
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
MC4R P32245 8/20 0.40
MC3R P41968 7/20 0.40
MC5R P33032 5/20 0.40

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
SCHEMBL771004 0.91 BCHE (0.40) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL771753 0.90 KMT2A (0.44) SMN1; SMN2CYP1A2CYP2D6CYP2C9ALDH1A1
SCHEMBL770279 0.83 ALDH1A1 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL772067 0.82 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL770024 0.81 HRH3 (0.35) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL770840 0.81 ALDH1A1 (0.37) SMN1; SMN2CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL770267 0.81 ALOX5 (0.38) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL770669 0.79 KCNH2 (0.38) SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL772447 0.77 ALDH1A1 (0.41) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL770041 0.75 RAB9A (0.42) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9

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
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 3637/4885CYP1A2 167/4885CYP3A4 322/4885

“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.