SCHEMBL769894

SCHEMBL769894

O=C(CCNC(=O)C1(c2cccc(F)c2)CCCC1)N1CCC2CCCCC2C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
EPHX2 P34913 1/20 0.39
MLNR O43193 2/20 0.38
P2RX7 Q99572 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL771125 0.88 SMN1; SMN2 (0.53) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL770940 0.87 SMN1; SMN2 (0.52) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL770899 0.85 SMN1; SMN2 (0.48) SMN1; SMN2HTTALDH1A1L3MBTL1RAB9A
SCHEMBL772069 0.81 HSD11B1 (0.46)
SCHEMBL772213 0.79 DPP4 (0.41) SMN1; SMN2HTTTRPV1P2RX7MEN1
SCHEMBL770442 0.72 HSD11B1 (0.42) EPHX2KMT2A
SCHEMBL771597 0.71 ALDH1A1 (0.49) SMN1; SMN2EPHX2KMT2AALDH1A1L3MBTL1
SCHEMBL770715 0.71 SMN1; SMN2 (0.54) SMN1; SMN2HTTMEN1KMT2AALDH1A1
SCHEMBL770493 0.71 KDM4E (0.53) SMN1; SMN2HTTKMT2AALDH1A1RAB9A
SCHEMBL770415 0.70 SMN1; SMN2 (0.53) SMN1; SMN2HTTMEN1KMT2AALDH1A1

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-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 412/4885TRPV1 4299/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 SMN1; SMN2 3637/4885HTT 425/4885TRPV1 4311/4885

“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.