SCHEMBL770892

SCHEMBL770892

O=C(CCCNC(=O)C1(c2ccc(Cl)cc2)CCC1)N1CCCC2CCCCC21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
DRD4 P21917 1/20 0.50
HRH3 Q9Y5N1 2/20 0.44
DRD3 P35462 1/20 0.43
HSD11B1 P28845 5/20 0.42
HDAC4 P56524 1/20 0.42
KMT2A Q03164 1/20 0.41
EP300 Q09472 2/20 0.40
CREBBP Q92793 1/20 0.40
IDO1 P14902 1/20 0.40
KCNH2 Q12809 1/20 0.40
LGMN Q99538 1/20 0.40
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL771856 0.88 SMN1; SMN2 (0.52) DRD2HRH3DRD3HDAC4KMT2A
SCHEMBL770593 0.87 SMN1; SMN2 (0.51) DRD2HRH3DRD3HDAC4KMT2A
SCHEMBL772219 0.87 DPP4 (0.47) DRD2DRD4HRH3HSD11B1LMNA
SCHEMBL770715 0.81 SMN1; SMN2 (0.54) DRD2DRD4HRH3HSD11B1HDAC4
SCHEMBL772213 0.81 DPP4 (0.41) HRH3HSD11B1KMT2AKCNH2
SCHEMBL770415 0.81 SMN1; SMN2 (0.53) DRD2DRD4HRH3HDAC4KMT2A
SCHEMBL772069 0.77 HSD11B1 (0.46) HSD11B1HDAC4LMNA
SCHEMBL770835 0.76 DRD2 (0.55) DRD2DRD4HRH3HSD11B1KMT2A
SCHEMBL769899 0.76 DRD2 (0.57) DRD2DRD4HRH3HSD11B1KMT2A
SCHEMBL772280 0.74 NPC1 (0.48) DRD2DRD4

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 DRD2 1422/4885DRD4 1484/4885HRH3 1687/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 DRD2 1418/4885DRD4 1487/4885HRH3 1698/4885

“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.