Sugi Predict

Sugi Predict / Compounds / SCHEMBL4145671

SCHEMBL4145671

SCHEMBL4145671

CC1=CC[CH]C(c2ccc(NC(C)C)cc2)=C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ THRB P10828 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TP53 P04637 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL7495427 0.78 TYR (0.34) ALDH1A1TP53SMN1; SMN2
SCHEMBL4810247 0.77 ACHE (0.33) TDP1
SCHEMBL4006208 0.75 MAPT (0.35) —
SCHEMBL4008023 0.74 CYP3A4 (0.37) TDP1ALDH1A1CYP3A4HSD17B10TP53
SCHEMBL5180094 0.73 ALDH1A1 (0.32) ALDH1A1TSHRL3MBTL1
SCHEMBL4303276 0.73 — —
SCHEMBL4012943 0.73 CA12 (0.39) —
SCHEMBL4014527 0.71 TRIM24 (0.36) TDP1ALDH1A1THRBALOX15HSD17B10
SCHEMBL4014318 0.71 TRIM24 (0.40) TDP1ALDH1A1CYP3A4THRBALOX15
SCHEMBL39430 0.67 TDP1 (0.72) TDP1ALDH1A1CYP3A4THRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 — — US claimed
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 — — EP disclosed
EP-1781617-A2 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 — — EP disclosed
WO-2006004742-A2 α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARAMCEUTICA N.V. (BE) 2006-01-12 — — WO disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 — — US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 — — US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 — — 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 (3 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R TDP1 2703/4885ALDH1A1 1572/4885CYP3A4 285/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 TDP1 4321/4885ALDH1A1 597/4885CYP3A4 648/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R TDP1 4296/4885ALDH1A1 1501/4885CYP3A4 700/4885

“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.