SCHEMBL770415

SCHEMBL770415

O=C(CCNC(=O)C1(c2ccccc2)CCCCC1)N1CCCC2CCCCC21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 1/20 0.53
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
OPRL1 P41146 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC4 P56524 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
CHRM2 P08172 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CHRM3 P20309 2/20 0.40

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
SCHEMBL770715 0.99 SMN1; SMN2 (0.54) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL770593 0.94 SMN1; SMN2 (0.51) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL771856 0.93 SMN1; SMN2 (0.52) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL772219 0.89 DPP4 (0.47) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL770940 0.82 SMN1; SMN2 (0.52) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL772213 0.81 DPP4 (0.41) SMN1; SMN2HTTOPRL1MEN1KMT2A
SCHEMBL771125 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HTTERCC1ERCC4LMNA
SCHEMBL770892 0.81 DRD2 (0.50) LMNAHDAC4KMT2AHRH3DRD2
SCHEMBL770799 0.78 DPP4 (0.60) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL770428 0.78 DPP4 (0.49) SMN1; SMN2HTTNPC1RAB9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439202-B1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 SALVAT LAB SA (ES) 2016-04-20 EP 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

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 412/4885ERCC1 944/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 3637/4885HTT 425/4885ERCC1 947/4885

“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.