SCHEMBL771856

SCHEMBL771856

O=C(CCCNC(=O)C1(c2ccccc2)CCCC1)N1CCCC2CCCCC21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 1/20 0.52
HRH3 Q9Y5N1 2/20 0.48
OPRL1 P41146 1/20 0.47
DPP4 P27487 2/20 0.47
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
TSHR P16473 1/20 0.42
HDAC4 P56524 2/20 0.42
CHRM2 P08172 1/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL770593 0.99 SMN1; SMN2 (0.51) SMN1; SMN2HTTHRH3OPRL1DPP4
SCHEMBL772219 0.97 DPP4 (0.47) SMN1; SMN2HTTHRH3OPRL1DPP4
SCHEMBL770715 0.94 SMN1; SMN2 (0.54) SMN1; SMN2HTTHRH3OPRL1LMNA
SCHEMBL770415 0.93 SMN1; SMN2 (0.53) SMN1; SMN2HTTHRH3OPRL1LMNA
SCHEMBL772213 0.88 DPP4 (0.41) SMN1; SMN2HTTHRH3OPRL1DPP4
SCHEMBL770892 0.88 DRD2 (0.50) HRH3LMNAHDAC4DRD2DRD3
SCHEMBL772292 0.80 DPP4 (0.70) SMN1; SMN2DPP4NPC1RAB9AALDH1A1
SCHEMBL771343 0.80 DPP4 (0.49) SMN1; SMN2HRH3DPP4NPC1RAB9A
SCHEMBL769889 0.78 HSD11B1 (0.57) SMN1; SMN2DPP4NPC1RAB9AALDH1A1
SCHEMBL772280 0.78 NPC1 (0.48) SMN1; SMN2DPP4NPC1RAB9ADRD2

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 SMN1; SMN2 3653/4885HTT 412/4885HRH3 1687/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 3637/4885HTT 425/4885HRH3 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.