SCHEMBL6605904

SCHEMBL6605904

COc1ccc2c(c1)CCC(=O)N2CC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.45
ATAD2 Q6PL18 1/20 0.45
CHRM1 P11229 1/20 0.44
NOTUM Q6P988 1/20 0.44
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.43
TRIM24 O15164 1/20 0.42
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CHRM5 P08912 2/20 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
SCHEMBL29173745 0.80 CMA1 (0.54) MAPTGAACHRM5
SCHEMBL4223959 0.77 CHRM1 (0.52) SRD5A1ATAD2CHRM1NOTUMGAA
SCHEMBL17979389 0.77 ATAD2 (0.43) ATAD2MAPTCYP1A2CYP11B1CYP11B2
SCHEMBL17979385 0.77 ATAD2 (0.46) ATAD2MAPTGAALMNAHSD17B10
SCHEMBL1763944 0.76 CHRM1 (0.52) SRD5A1ATAD2CHRM1NOTUMTRIM24
SCHEMBL1764560 0.76 CHRM1 (0.52) SRD5A1ATAD2CHRM1NOTUMTRIM24
Hydrochloric Acid SCHEMBL17979538 0.76 ATAD2 (0.45) ATAD2MAPTGAALMNAHSD17B10
SCHEMBL29923967 0.75 CHRM1 (0.53) CHRM1
SCHEMBL28901304 0.75 CHRM1 (0.53) CHRM1
SCHEMBL6073478 0.75 TRIM24 (0.64) SRD5A1NOTUMTRIM24LMNAHSD17B10

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
EP-1175417-B1 SUBSTITUTED BENZOLACTAM COMPOUNDS PFIZER PROD INC (US) 2004-01-07 EP disclosed
US-20030105124-A1 Substituted benzolactam compounds SOBOLOV-JAYNES SUSAN BETH (US) 2003-06-05 US disclosed
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists WAKABAYASHI HIROAKI (JP) 2002-05-02 US disclosed
US-6288225-B1 Substituted benzolactam compounds as substance P antagonists PFIZER INC 2001-09-11 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-20030105124-A1 Substituted benzolactam compounds NPY1R, HAX1, CBR1 SRD5A1 950/4885ATAD2 3440/4885CHRM1 46/4885
US-20020052503-A1 Substituted benzolactam compounds as substance p antagonists NPY1R, OPRM1, OPRL1 SRD5A1 1720/4885ATAD2 3695/4885CHRM1 50/4885

“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.