SCHEMBL13059656

SCHEMBL13059656

COC(=O)c1ccc(N2CCC(CN)CC2)nc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
KMT2A Q03164 1/20 0.60
HRH3 Q9Y5N1 6/20 0.56
CRBN Q96SW2 4/20 0.53
DDB1 Q16531 2/20 0.48
OGA O60502 1/20 0.48
AOC3 Q16853 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CETP P11597 1/20 0.46
KDM1A O60341 1/20 0.45
P2RY12 Q9H244 1/20 0.45
MAPK1 P28482 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
SCHEMBL25141661 0.89 NPC1 (0.62) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL6945090 0.88 HRH3 (0.59) RAB9ANPC1KMT2AHRH3OGA
SCHEMBL18555777 0.86 RAB9A (0.64) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL9883390 0.85 RAB9A (0.58) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL1095809 0.84 RAB9A (0.66) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL9883418 0.83 OGA (0.45) RAB9ANPC1KMT2AOGAAOC3
Hydrochloric Acid SCHEMBL21615911 0.82 OGA (0.44) RAB9ANPC1KMT2AOGAAOC3
SCHEMBL3895677 0.81 RAB9A (0.72) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL7464132 0.81 KDM4E (0.44) RAB9ANPC1KMT2AHRH3KDM1A
SCHEMBL7326778 0.80 RAB9A (0.71) RAB9ANPC1KMT2AHRH3CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 US disclosed
WO-2008156715-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 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-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP RAB9A 4255/4885NPC1 11/4885KMT2A 1989/4885

“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.