SCHEMBL94814

SCHEMBL94814

CCCN(CC1CC1)c1cc(C(F)(F)F)c(C=O)s1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.45
AR P10275 4/20 0.45
CNR1 P21554 1/20 0.39
CRHR1 P34998 10/20 0.38
MLYCD O95822 1/20 0.37
MME P08473 1/20 0.34
CRHR2 Q13324 1/20 0.33
KCNN4 O15554 1/20 0.33

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
SCHEMBL94360 0.81 ALDH1A1 (0.39) CNR2ARCRHR1MME
SCHEMBL95044 0.78 AR (0.56) CNR2ARCNR1CRHR1MME
SCHEMBL94074 0.71 AR (0.56) CNR2ARCNR1CRHR1MME
SCHEMBL1587823 0.68 CNR2 (0.43) CNR2ARCNR1CRHR1MLYCD
SCHEMBL94067 0.66 AR (0.50) CNR2ARCRHR1MME
SCHEMBL94819 0.66 AR (0.63) CNR2ARCRHR1MME
SCHEMBL3061013 0.66 CNR2 (0.58) CNR2ARCNR1CRHR1MLYCD
SCHEMBL3057299 0.65 CNR2 (0.57) CNR2ARCNR1CRHR1
SCHEMBL3050424 0.65 CNR2 (0.47) CNR2ARCNR1CRHR1
SCHEMBL13456175 0.65 CNR2 (0.72) CNR2ARCNR1CRHR1

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
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US disclosed
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US disclosed
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US disclosed
EP-2426117-A1 THIOPHENE DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP 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-20120065231-A1 THIOPHENE DERIVATIVE AR, NR5A1, SHBG CNR2 305/4885AR 1/4885CNR1 259/4885

“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.