SCHEMBL7781268

SCHEMBL7781268

O=[C]CNC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
ADRB3 P13945 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL7031931 0.82 CYP1A2 (0.64) L3MBTL1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL5819528 0.79 SIGMAR1 (0.60) L3MBTL1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL4355200 0.79 SIGMAR1 (0.60) L3MBTL1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL6932504 0.79 L3MBTL1 (0.57) L3MBTL1MAPTALDH1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL31086290 0.78 SIGMAR1 (0.58) L3MBTL1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3449545 0.78 HTT (0.51) L3MBTL1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL28191143 0.77 L3MBTL1 (0.65) L3MBTL1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL17465576 0.77 L3MBTL1 (0.65) L3MBTL1MAPTALDH1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL9155467 0.75 SIGMAR1 (0.61) L3MBTL1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL13621571 0.75 TAAR1 (0.57) L3MBTL1MAPTALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017664-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP claimed
WO-1999015490-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO claimed
US-20010056185-A1 C3A receptor ligands LEE DENNIS (US) 2001-12-27 US disclosed
EP-1017664-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP disclosed
WO-1999015490-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO 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-20010056185-A1 C3A receptor ligands C3AR1, C5AR1, C5AR2 L3MBTL1 992/4885MAPT 4424/4885ALDH1A1 2838/4885

“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.