SCHEMBL772213

SCHEMBL772213

O=C(CCCNC(=O)C1(c2cccc(F)c2)CCCC1)N1CCCC2CCCCC21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.41
HRH3 Q9Y5N1 2/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
HSD11B1 P28845 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
OPRL1 P41146 1/20 0.37
P2RX7 Q99572 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C19 P33261 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
SCHEMBL771856 0.88 SMN1; SMN2 (0.52) DPP4HRH3HTTSMN1; SMN2OPRL1
SCHEMBL770593 0.88 SMN1; SMN2 (0.51) DPP4HRH3HTTSMN1; SMN2OPRL1
SCHEMBL772219 0.85 DPP4 (0.47) DPP4HRH3HTTSMN1; SMN2HSD11B1
SCHEMBL770715 0.82 SMN1; SMN2 (0.54) HRH3HTTSMN1; SMN2HSD11B1OPRL1
SCHEMBL770415 0.81 SMN1; SMN2 (0.53) HRH3HTTSMN1; SMN2OPRL1MEN1
SCHEMBL770892 0.81 DRD2 (0.50) HRH3HSD11B1KCNH2KMT2A
SCHEMBL769894 0.79 SMN1; SMN2 (0.40) HTTSMN1; SMN2TRPV1P2RX7MEN1
SCHEMBL769854 0.74 KMT2A (0.50) DPP4SMN1; SMN2TRPV1HSD11B1TP53
SCHEMBL772280 0.74 NPC1 (0.48) DPP4SMN1; SMN2PDE3BPDE3A
SCHEMBL769889 0.72 HSD11B1 (0.57) DPP4SMN1; SMN2TRPV1HSD11B1MEN1

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 DPP4 1092/4885HRH3 1687/4885HTT 412/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 DPP4 1125/4885HRH3 1698/4885HTT 425/4885

“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.