SCHEMBL17535682

SCHEMBL17535682

CCOc1cc(N2CCC(F)(F)CC2)c(C2CC2)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.40
SCN5A Q14524 3/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC22A1 O15245 1/20 0.38
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
NR1I2 O75469 1/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
HTR2A P28223 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38
ABCC8 Q09428 1/20 0.38
NR1I3 Q14994 1/20 0.38
ABCC2 Q92887 1/20 0.38

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
SCHEMBL17535766 0.89 SCN9A (0.41) SCN9ASCN5ASCN10ASCN1ASCN2A
SCHEMBL17535914 0.85 SCN9A (0.39) SCN9ASCN5ASCN10AFFAR4
SCHEMBL17535744 0.81 ALDH1A1 (0.40) SCN9ASCN5ALMNAFFAR4
SCHEMBL17535743 0.78 ALDH1A1 (0.36) SCN9ASCN5AHSD17B10LMNASCN10A
SCHEMBL17535534 0.77 SCN9A (0.40) SCN9ASCN5ASCN10AFFAR4
SCHEMBL16056964 0.75 SCN9A (0.40) SCN9ASCN5ASCN10AFFAR4
SCHEMBL17535889 0.74 TDP1 (0.39) TSHRHSD17B10LMNA
SCHEMBL17535589 0.74 POLB (0.37) SCN9ALMNAFFAR4
SCHEMBL23459826 0.74 TSHR (0.49) SCN9ATSHRHSD17B10LMNACYP3A4
SCHEMBL18832539 0.72 RXRA (0.46) SCN9ATSHRHSD17B10CYP3A4RXRA

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
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 SCN9A 771/4885SCN5A 111/4885TSHR 51/4885

“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.