Sugi Predict

Sugi Predict / Compounds / SCHEMBL6786012

SCHEMBL6786012

SCHEMBL6786012

CC(C)(C)OC(=O)N1CCc2[nH]c3ccccc3c2CC1.CC(C)(C)OC(=O)N1CCc2c(n(CC(N)=O)c3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ TRPV1 Q8NER1 5/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ BAZ2B Q9UIF8 1/20 0.44
▸ FAAH O00519 2/20 0.43
▸ PTGDR2 Q9Y5Y4 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ GPX4 P36969 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL6482888 0.90 HDAC1 (0.55) HDAC1HDAC6PTGDR2CHRM2CHRM4
SCHEMBL7466922 0.90 HDAC1 (0.46) HDAC1HDAC6TRPV1MAPTLMNA
SCHEMBL7073345 0.84 HDAC1 (0.44) HDAC1HDAC6TRPV1MAPTLMNA
SCHEMBL6474214 0.84 LMNA (0.60) TRPV1MAPTLMNABAZ2BFAAH
SCHEMBL6423329 0.83 HDAC1 (0.55) HDAC1HDAC6PTGDR2CHRM2CHRM4
SCHEMBL6482626 0.81 PTGDR2 (0.64) HDAC1HDAC6PTGDR2CHRM2CHRM4
SCHEMBL6480581 0.78 HDAC1 (0.54) HDAC1HDAC6PTGDR2CHRM2CHRM4
SCHEMBL6475536 0.78 HDAC1 (0.55) HDAC1HDAC6PTGDR2CHRM2CHRM4
SCHEMBL6474866 0.78 KDM4E (0.55) HDAC1HDAC6LMNAPTGDR2CHRM2
SCHEMBL6475292 0.77 HDAC1 (0.56) HDAC1HDAC6PTGDR2CHRM2CHRM4

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-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 — — US disclosed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 — — US disclosed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 — — EP disclosed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 — — US disclosed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 — — 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 (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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E HDAC1 2029/4885HDAC6 2272/4885TRPV1 300/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HDAC1 2371/4885HDAC6 2415/4885TRPV1 318/4885

“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.