SCHEMBL13490811

SCHEMBL13490811

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 6/20 0.65
▸ MTNR1A P48039 5/20 0.65
▸ ALDH1A1 P00352 1/20 0.54
▸ NPC1 O15118 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ USP2 O75604 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CNR1 P21554 2/20 0.46
▸ CNR2 P34972 2/20 0.46
▸ MAPT P10636 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
SCHEMBL13490806 0.96 MTNR1B (0.59) MTNR1BMTNR1AALDH1A1NPC1RECQL
SCHEMBL13411722 0.84 MTNR1A (0.70) MTNR1BMTNR1AALDH1A1NPC1RECQL
SCHEMBL18183526 0.78 SMN1; SMN2 (0.70) MTNR1BMTNR1ASMN1; SMN2CNR1CNR2
SCHEMBL13490807 0.76 CNR1 (0.44) ALDH1A1RECQLTSHRCNR1CNR2
SCHEMBL13490816 0.76 FFAR1 (0.54) CNR1CNR2
SCHEMBL13490817 0.75 CNR1 (0.51) ALDH1A1SMN1; SMN2CNR1CNR2MAPT
SCHEMBL1911330 0.74 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1CNR1CNR2
SCHEMBL5670829 0.74 TACR1 (0.55) MTNR1BMTNR1AALDH1A1SMN1; SMN2
SCHEMBL89065 0.73 NPC1 (0.57) ALDH1A1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL88823 0.73 ALDH1A1 (0.61) ALDH1A1TSHRMAPK1

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 1360/4885ALDH1A1 412/4885

“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