SCHEMBL7814271

SCHEMBL7814271

CCN1CCCCCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
PIK3CD O00329 1/20 0.50
HRH3 Q9Y5N1 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM2 P08172 3/20 0.46
CHRM5 P08912 3/20 0.46
CHRM1 P11229 3/20 0.46
CHRM3 P20309 3/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM4 P08173 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
APEX1 P27695 2/20 0.42
PMP22 Q01453 2/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42

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
SCHEMBL10426954 1.00 L3MBTL1 (0.52) L3MBTL1PIK3CDHRH3KMT2ACHRM2
SCHEMBL7810580 1.00 L3MBTL1 (0.52) L3MBTL1PIK3CDHRH3KMT2ACHRM2
SCHEMBL9391876 1.00 L3MBTL1 (0.52) L3MBTL1PIK3CDHRH3KMT2ACHRM2
SCHEMBL19456803 1.00 L3MBTL1 (0.52) L3MBTL1PIK3CDHRH3KMT2ACHRM2
SCHEMBL22601369 1.00 L3MBTL1 (0.52) L3MBTL1PIK3CDHRH3KMT2ACHRM2
SCHEMBL459831 1.00 L3MBTL1 (0.52) L3MBTL1PIK3CDHRH3KMT2ACHRM2
Hydrochloric Acid SCHEMBL318999 0.98 L3MBTL1 (0.50) L3MBTL1PIK3CDHRH3KMT2ACHRM2
Water SCHEMBL28800907 0.98 L3MBTL1 (0.50) L3MBTL1PIK3CDHRH3KMT2ACHRM2
SCHEMBL179071 0.98
Hydrochloric Acid SCHEMBL318259 0.95 PIK3CD (0.50) L3MBTL1PIK3CDHRH3KMT2ACHRM2

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
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
EP-0794184-B1 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2001-05-30 EP disclosed
US-5932568-A GASTROINTESTINAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-08-03 US disclosed
EP-0794184-A1 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-09-10 EP 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-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 L3MBTL1 3725/4885PIK3CD 3213/4885HRH3 1019/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 L3MBTL1 3725/4885PIK3CD 3213/4885HRH3 1019/4885

“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.