SCHEMBL18734805

SCHEMBL18734805

O=C(CN1CCCC[C@H]1C(=O)O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
FKBP1A P62942 6/20 0.51
MMEL1 Q495T6 1/20 0.48
SLC6A1 P30531 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SIGMAR1 Q99720 1/20 0.46
ACE P12821 1/20 0.46
POLB P06746 1/20 0.46
CD274 Q9NZQ7 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL19880370 1.00 SMN1; SMN2 (0.51) SMN1; SMN2FKBP1AMMEL1SLC6A1NPC1
SCHEMBL19880369 1.00 SMN1; SMN2 (0.51) SMN1; SMN2FKBP1AMMEL1SLC6A1NPC1
SCHEMBL14836855 0.96 MMEL1 (0.52) SMN1; SMN2FKBP1AMMEL1NPC1RAB9A
SCHEMBL3912914 0.87 POLB (0.62) SMN1; SMN2FKBP1AMMEL1POLBALDH1A1
SCHEMBL24705627 0.86 SPHK1 (0.50) SMN1; SMN2FKBP1AMMEL1NPC1RAB9A
SCHEMBL18626013 0.86 SPHK1 (0.50) SMN1; SMN2FKBP1AMMEL1NPC1RAB9A
SCHEMBL20966402 0.86 SPHK1 (0.58) SMN1; SMN2FKBP1AMMEL1POLBALDH1A1
SCHEMBL934366 0.84 MMEL1 (0.58) FKBP1AMMEL1ACEPOLBALDH1A1
SCHEMBL20966406 0.84 MMEL1 (0.53) SMN1; SMN2FKBP1AMMEL1ACE
SCHEMBL2707345 0.84 MMEL1 (0.58) FKBP1AMMEL1ACEPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896452-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2018-02-20 US disclosed
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. 2017-04-13 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 (1 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-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 SMN1; SMN2 856/4885FKBP1A 200/4885MMEL1 1974/4885

“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.