Sugi Predict

Sugi Predict / Compounds / SCHEMBL5533302

SCHEMBL5533302

SCHEMBL5533302

CCOC(=O)CN1CCN(c2ccc(-c3nc(C#N)c(C)nc3C)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 2/20 0.41
▸ MAPT P10636 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL5538227 0.82 MAPT (0.52) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5535294 0.81 ALDH1A1 (0.38) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5536327 0.77 DGAT1 (0.37) CETPALDH1A1KMT2AHPGDKDM4E
SCHEMBL5538159 0.77 KDM4E (0.58) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5532095 0.77 KDM4E (0.58) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL6701215 0.75 MAPT (0.58) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2259355 0.73 USP14 (0.38) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL20271748 0.72 ALDH1A1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20271984 0.72 SMN1; SMN2 (0.69) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5535313 0.72 DGAT1 (0.35) ALDH1A1KMT2AHPGDKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 — — US disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 — — US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 — — US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 — — US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 — — 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 (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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 CETP 738/4885MAPT 3037/4885ALDH1A1 277/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 CETP 746/4885MAPT 2909/4885ALDH1A1 272/4885

“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.