SCHEMBL13490806

SCHEMBL13490806

CCc1cc(OC)cc(OCCCNC(C)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 8/20 0.59
▸ MTNR1A P48039 7/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.49
▸ CNR1 P21554 2/20 0.48
▸ CNR2 P34972 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL13490811 0.96 MTNR1B (0.65) MTNR1BMTNR1AL3MBTL1ALDH1A1CNR1
SCHEMBL13411722 0.79 MTNR1A (0.70) MTNR1BMTNR1AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13490816 0.78 FFAR1 (0.54) CNR1CNR2
SCHEMBL13490817 0.77 CNR1 (0.51) ALDH1A1CNR1CNR2SMN1; SMN2
SCHEMBL18183526 0.77 SMN1; SMN2 (0.70) MTNR1BMTNR1ACNR1CNR2SMN1; SMN2
SCHEMBL88959 0.75 ALDH1A1 (0.44) L3MBTL1ALDH1A1CNR1CNR2SMN1; SMN2
SCHEMBL13490807 0.75 CNR1 (0.44) ALDH1A1CNR1CNR2RECQL
SCHEMBL88961 0.75 ALDH1A1 (0.48) ALDH1A1CNR1CNR2
SCHEMBL13490815 0.74 BRD4 (0.47) L3MBTL1ALDH1A1CNR1CNR2SMN1; SMN2
SCHEMBL1911330 0.73 ALDH1A1 (0.42) ALDH1A1CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 — — 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE MTNR1B 738/4885MTNR1A 1360/4885L3MBTL1 4109/4885

“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.

Send feedback