SCHEMBL2211258

SCHEMBL2211258

NCS(=O)(=O)Nc1cc(N)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.42
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACLY P53396 4/20 0.35
PTGES2 Q9H7Z7 3/20 0.35
CCR2 P41597 3/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
KMT2A Q03164 1/20 0.33
HTR6 P50406 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
SCHEMBL31166007 0.79 RAPGEF4 (0.40) CYP3A4ACLYKDM1AMAOAKMT2A
SCHEMBL18332101 0.79 KDM1A (0.51) PSIP1ADRA2CADRA1AADRA1BKDM1A
Ammonia Solution, Strong SCHEMBL2211253 0.77 KDM1A (0.50) ADRA2CADRA1AADRA1BKDM1AMAOA
SCHEMBL17526277 0.75 BRD4 (0.39) ACLYKDM1AMAOA
SCHEMBL2209213 0.72 ADRA2C (0.43) ADRA2CADRA1AADRA1BKMT2A
SCHEMBL2211141 0.71 CA1 (0.42) PSIP1PTGES2
SCHEMBL13529173 0.71 ALDH1A1 (0.39) PSIP1CYP3A4
SCHEMBL16441841 0.69 CCR2 (0.55) ACLYCCR2KMT2A
SCHEMBL28021196 0.68 PSIP1 (0.62) PSIP1CYP3A4CYP2C9CYP2C19ACLY
SCHEMBL23226753 0.68 ADRB3 (0.40) CYP3A4CYP2C9CYP2C19PTGES2ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US disclosed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 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-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments REN, PKD1, PKD2 PSIP1 858/4885CYP3A4 73/4885CYP2C9 116/4885

“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.