SCHEMBL6760712

SCHEMBL6760712

CC(=O)Oc1ccc(COC(=O)C(C)(C)C)cc1C(c1ccccc1)(C(C)C)C(CN)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.35
NPC1 O15118 1/20 0.32
CFD P00746 1/20 0.32
ROCK2 O75116 1/20 0.32
SLC15A1 P46059 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTPN1 P18031 1/20 0.31
PRKCA P17252 1/20 0.30
PRKCD Q05655 1/20 0.30

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
SCHEMBL3779739 0.93 ELANE (0.37) ELANEALDH1A1
SCHEMBL6762097 0.87 ALOX15 (0.39) ALDH1A1
SCHEMBL6760481 0.78 CYP3A4 (0.36) ELANENPC1
SCHEMBL6760711 0.72 CHRM2 (0.42) ELANENPC1CFDROCK2ALDH1A1
SCHEMBL15238219 0.71 CHRM2 (0.65)
SCHEMBL6760704 0.69 CHRM3 (0.30)
SCHEMBL6757095 0.68 KIF11 (0.34) ALDH1A1
SCHEMBL2167312 0.67 CHRM2 (0.66) ELANEALDH1A1
SCHEMBL7758290 0.65 ELANE (0.42) ELANECFD
SCHEMBL3779737 0.65 ELANE (0.44) ELANEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG 2004-09-23 US claimed
US-8338478-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2012-12-25 US disclosed
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG 2004-09-23 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 (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-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 ELANE 4162/4885NPC1 3646/4885CFD 646/4885

“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.