SCHEMBL5553185

SCHEMBL5553185

Cc1nc(CN2C(=O)N(c3ccccc3C)C3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)C2=O)cs1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 1/20 0.45
USP2 O75604 8/20 0.42
TACR1 P25103 7/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 5/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2D6 P10635 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL5559648 0.86 USP2 (0.43) USP2TACR1SMN1; SMN2ALDH1A1TSHR
SCHEMBL5558267 0.85 DDR1 (0.58) DDR1USP2TACR1SMN1; SMN2ALDH1A1
SCHEMBL5553238 0.85 TACR1 (0.53) USP2TACR1SMN1; SMN2ALDH1A1TSHR
SCHEMBL5557658 0.82 USP2 (0.44) USP2TACR1SMN1; SMN2ALDH1A1TSHR
SCHEMBL5553343 0.82 TACR1 (0.47) USP2TACR1SMN1; SMN2ALDH1A1TSHR
SCHEMBL5553486 0.82 USP2 (0.44) USP2TACR1SMN1; SMN2ALDH1A1TSHR
SCHEMBL5553232 0.82 MGLL (0.44) USP2TACR1SMN1; SMN2ALDH1A1TSHR
SCHEMBL5557787 0.81 USP2 (0.42) USP2TACR1SMN1; SMN2ALDH1A1TSHR
SCHEMBL5559709 0.81 USP2 (0.47) USP2TACR1SMN1; SMN2ALDH1A1TSHR
SCHEMBL7165543 0.79 TACR1 (0.47) USP2TACR1SMN1; SMN2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292596-B1 1,3,8-TRIAZA-SPIRO¬4,5 DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-12-19 EP claimed
US-6482829-B2 CENTRAL NERVOUS SYSTEM DISORDERS; HEEADACHES, ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-11-19 US claimed
US-20020006932-A1 Substituted heterocyclic siprodecane compound active as an antagonist of neurokinin 1 receptor F. HOFFMANN-LA ROCHE AG (CH) 2002-01-17 US claimed
EP-1292596-B1 1,3,8-TRIAZA-SPIRO¬4,5 DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-12-19 EP disclosed
US-6482829-B2 CENTRAL NERVOUS SYSTEM DISORDERS; HEEADACHES, ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-11-19 US disclosed
US-20020006932-A1 Substituted heterocyclic siprodecane compound active as an antagonist of neurokinin 1 receptor F. HOFFMANN-LA ROCHE AG (CH) 2002-01-17 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-20020006932-A1 Substituted heterocyclic siprodecane compound active as an antagonist of neurokinin 1 receptor TACR1, TACR2, NPR1 DDR1 1165/4885USP2 3849/4885TACR1 1/4885

“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.