SCHEMBL19972389

SCHEMBL19972389

CCCC[Sn](CCCC)(CCCC)C(CCCN=Cc1c(F)cc(OC)cc1F)NC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
CTSA P10619 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19972385 1.00 SMN1; SMN2 (0.31) SMN1; SMN2CTSAMEN1KMT2AHSD17B10
SCHEMBL19972377 0.83 CYP1A2 (0.43) SMN1; SMN2MEN1KMT2A
SCHEMBL19972378 0.83 CYP1A2 (0.43) SMN1; SMN2MEN1KMT2A
SCHEMBL955181 0.75 TAAR1 (0.39) SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL6251048 0.58 FAAH (0.41) SMN1; SMN2CTSA
SCHEMBL3912929 0.57 POLB (0.38) KMT2A
SCHEMBL3912927 0.57 POLB (0.38) KMT2A
SCHEMBL320663 0.57 L3MBTL1 (0.47) SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL320662 0.57 L3MBTL1 (0.47) SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL3912925 0.56 MAOB (0.48)

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
EP-3515902-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-07-31 EP disclosed
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl Grünenthal GmbH (DE) 2019-04-23 US disclosed
WO-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 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 (2 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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 SMN1; SMN2 2418/4885CTSA 1381/4885MEN1 3193/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 SMN1; SMN2 2418/4885CTSA 1381/4885MEN1 3193/4885

“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.