SCHEMBL794589

SCHEMBL794589

COc1ccccc1N1CCN(C(=O)C(=O)C(=O)N2CCCC3CCCCC32)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
SLC18A3 Q16572 1/20 0.53
RAB9A P51151 1/20 0.52
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
AKR1C3 P42330 1/20 0.49
MCOLN2 Q8IZK6 1/20 0.48
MCOLN1 Q9GZU1 1/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
TACR3 P29371 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
EED O75530 1/20 0.47

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
SCHEMBL770998 0.93 PKM (0.55) PKMSLC18A3RAB9ADRD2DRD3
SCHEMBL769468 0.84 RAB9A (0.59) SLC18A3RAB9AALDH1A1TSHRKDM4E
SCHEMBL770748 0.84 L3MBTL1 (0.60) SLC18A3RAB9AALDH1A1TSHRKDM4E
SCHEMBL770283 0.82 HTR1A (0.58) SLC18A3RAB9ADRD2ALDH1A1TSHR
SCHEMBL770716 0.79 PKM (0.56) PKMSLC18A3RAB9ADRD2DRD3
SCHEMBL769753 0.78 TSHR (0.58) SLC18A3RAB9AAKR1C3ALDH1A1TSHR
SCHEMBL16026545 0.78 PKM (0.74) PKMRAB9ADRD2DRD3AKR1C3
SCHEMBL27829788 0.73 AKR1C3 (0.83) PKMRAB9ADRD2DRD3AKR1C3
SCHEMBL770677 0.72 RAB9A (0.52) RAB9ADRD2ALDH1A1TSHRMAPT
SCHEMBL771533 0.72 L3MBTL1 (0.61) RAB9AALDH1A1TSHRKMT2AMEN1

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 3 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
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 PKM 1554/4885SLC18A3 2670/4885RAB9A 2217/4885

“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.