SCHEMBL16669669

SCHEMBL16669669

COc1cc(-c2ccc(F)cc2)c(C2CC2)cc1CN1CCC(n2ccc(C(=O)O)cc2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 9/20 0.50
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ACKR3 P25106 1/20 0.38
MAPK1 P28482 1/20 0.36
HRH2 P25021 1/20 0.36

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
SCHEMBL16683344 0.97 SSTR5 (0.47) SSTR5KCNH2KDM4EMEN1ALDH1A1
SCHEMBL16669716 0.92 SSTR5 (0.42) SSTR5KDM4EMEN1KMT2A
SCHEMBL16670334 0.92 SSTR5 (0.51) SSTR5KCNH2
SCHEMBL16669938 0.91 SSTR5 (0.52) SSTR5KCNH2MEN1ALDH1A1KMT2A
SCHEMBL16670195 0.85 SSTR5 (0.49) SSTR5MEN1ALDH1A1KMT2AACKR3
SCHEMBL16670331 0.85 SSTR5 (0.49) SSTR5KCNH2
SCHEMBL16670327 0.84 SSTR5 (0.51) SSTR5KCNH2KMT2AACKR3HRH2
SCHEMBL16670184 0.83 SSTR5 (0.44) SSTR5KCNH2MEN1ALDH1A1KMT2A
SCHEMBL16683346 0.83 SSTR5 (0.44) SSTR5KCNH2ALDH1A1
SCHEMBL16669953 0.82 SSTR5 (0.44) SSTR5KCNH2MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063139-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-11-21 EP disclosed
US-9120777-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
US-9120777-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
US-9120777-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-01 US disclosed
US-20150119412-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 US disclosed
US-20150119412-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 US disclosed
US-20150119412-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-30 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-20150119412-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR4, SSTR2 SSTR5 1/4885KCNH2 2199/4885KDM4E 3723/4885

“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.