SCHEMBL770890

SCHEMBL770890

O=C(CNCCc1ccccc1)NCCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.73
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
NCOR2 Q9Y618 2/20 0.58
HDAC4 P56524 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
EPHX2 P34913 1/20 0.58
CA2 P00918 4/20 0.58
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
CA1 P00915 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
EPHX1 P07099 1/20 0.56
MALT1 Q9UDY8 1/20 0.55
PLAAT5 Q96KN8 1/20 0.54

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
SCHEMBL19721588 0.91 TAAR1 (0.63) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL13073335 0.89 EPHX1 (0.62) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL3655081 0.87 PTPN1 (0.67) TAAR1L3MBTL1PLAAT5PLAAT4GAA
SCHEMBL9335831 0.86 EPHX1 (0.58) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL3994646 0.85 MAPT (0.58) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL25457581 0.84 TAAR1 (0.55) TAAR1HDAC1HDAC2HDAC8HDAC6
SCHEMBL13073411 0.84 CA2 (0.63) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL13917987 0.84 HDAC3 (0.66) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL7765076 0.82 L3MBTL1 (0.79) TAAR1HDAC3HDAC1HDAC2HDAC10
SCHEMBL157742 0.82 KEAP1 (0.59) TAAR1HDAC3HDAC1HDAC2HDAC10

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 TAAR1 3598/4885HDAC3 1448/4885HDAC1 304/4885

“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.