SCHEMBL770891

SCHEMBL770891

O=C(NCCC(=O)N1CCC2CCCCC2C1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
TGM2 P21980 1/20 0.49
PREP P48147 3/20 0.48
FAP Q12884 2/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
HPGD P15428 1/20 0.47
BCHE P06276 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45
ATM Q13315 1/20 0.45
DRD4 P21917 3/20 0.44
POLB P06746 1/20 0.44
DPP4 P27487 1/20 0.43
KCNH2 Q12809 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL770493 0.82 KDM4E (0.53) KMT2AALDH1A1DPP4
SCHEMBL770258 0.82 PREP (0.57) TGM2PREPFAPDPP8DPP9
SCHEMBL771329 0.76 TDP1 (0.55) KMT2AHPGDALDH1A1PKML3MBTL1
SCHEMBL770994 0.76 RAB9A (0.55) KMT2AHPGDALDH1A1POLBHSD17B10
SCHEMBL771667 0.76 PREP (0.55) PREPFAPDPP8DPP9HPGD
SCHEMBL771597 0.76 ALDH1A1 (0.49) KMT2AHPGDALDH1A1PKMATM
SCHEMBL770442 0.74 HSD11B1 (0.42) KMT2ALMNA
SCHEMBL771711 0.73 LMNA (0.49) KMT2AHPGDALDH1A1LMNAPKM
SCHEMBL771029 0.73 SMN1; SMN2 (0.53) KMT2AHPGDBCHEALDH1A1LMNA
SCHEMBL770899 0.73 SMN1; SMN2 (0.48) ALDH1A1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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 (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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KMT2A 3868/4885TGM2 1525/4885PREP 900/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KMT2A 3893/4885TGM2 1528/4885PREP 907/4885

“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.