SCHEMBL9903679

SCHEMBL9903679

C[C@H]1CN(C(=O)O)Cc2scc(-c3cccc(F)c3)c2O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
SCD5 Q86SK9 3/20 0.37
GRM5 P41594 6/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCD O00767 2/20 0.35
RIPK1 Q13546 1/20 0.35
HCRTR2 O43614 2/20 0.35
HCRTR1 O43613 1/20 0.35
CHRM3 P20309 2/20 0.34
PAX8 Q06710 1/20 0.34
GPR35 Q9HC97 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
SCHEMBL9902355 1.00 GRM2 (0.39) GRM2SCD5GRM5KDM4ESMN1; SMN2
SCHEMBL9902640 0.86 BRD4 (0.40) GRM2SCD5GRM5
SCHEMBL9903595 0.82 GRM2 (0.38) GRM2KDM4ESMN1; SMN2RIPK1PAX8
SCHEMBL9903489 0.82 GRM2 (0.38) GRM2KDM4ESMN1; SMN2RIPK1PAX8
SCHEMBL9902353 0.80 RIPK1 (0.43) SCD5KDM4ESMN1; SMN2SCDRIPK1
SCHEMBL9903354 0.75 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL9902651 0.73 HTR7 (0.35) GRM2KDM4ESMN1; SMN2CHRM3PAX8
SCHEMBL9903245 0.73 HTR7 (0.35) GRM2KDM4ESMN1; SMN2CHRM3PAX8
SCHEMBL9903873 0.73 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL9903405 0.72 GPR35 (0.35) SMN1; SMN2GPR35

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-8916549-B2 Thienooxazepine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
EP-2463290-B1 THIENOOXAZEPINE DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-20120196848-A1 THIENOOXAZEPINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-02 US disclosed
EP-2463290-A1 THIENOOXAZEPINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-06-13 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-20120196848-A1 THIENOOXAZEPINE DERIVATIVE HTR2C, HTR2B, HTR2A GRM2 147/4885SCD5 1938/4885GRM5 77/4885

“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.