SCHEMBL3907882

SCHEMBL3907882

CC(C)(C)OC(=O)N1CCc2cc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
NOTUM Q6P988 2/20 0.46
SRD5A1 P18405 1/20 0.46
GPR119 Q8TDV5 5/20 0.43
TRIM24 O15164 1/20 0.42
DHODH Q02127 1/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
S1PR1 P21453 1/20 0.41
GHSR Q92847 2/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ADAM17 P78536 1/20 0.41
RIPK1 Q13546 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 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
SCHEMBL3905018 0.86 POLB (0.44) NOTUMSRD5A1GPR119DHODHGHSR
SCHEMBL30102438 0.85 PDK1 (0.54) NOTUMSRD5A1GPR119DHODHMAOB
SCHEMBL3905087 0.85 PDK1 (0.54) NOTUMSRD5A1GPR119DHODHMAOB
SCHEMBL3898756 0.84 SRD5A1 (0.58) NOTUMSRD5A1GPR119TRIM24GHSR
SCHEMBL3904297 0.82 GPR119 (0.41) NOTUMSRD5A1GPR119DHODHGHSR
SCHEMBL3913405 0.82 PSEN1 (0.39) TACR1NOTUMSRD5A1TRIM24POLB
SCHEMBL3913400 0.82 PSEN1 (0.39) TACR1NOTUMSRD5A1TRIM24POLB
SCHEMBL3902299 0.82 PDK1 (0.51) SRD5A1GPR119DHODHGHSR
SCHEMBL3903665 0.82 GHSR (0.49) SRD5A1GPR119DHODHGHSR
SCHEMBL3904939 0.81 PSEN1 (0.39) TACR1NOTUMSRD5A1TRIM24S1PR1

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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 TACR1 103/4885NOTUM 2224/4885SRD5A1 689/4885

“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.