SCHEMBL3469273

SCHEMBL3469273

CN1CCC(N(C)S(=O)(=O)Cc2ccc(CN)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 19/20 0.54
HTR2C P28335 19/20 0.54
USP2 O75604 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL3469269 0.84 HTR2A (0.50) HTR2AHTR2CUSP2HPGDHSD17B10
SCHEMBL2743214 0.73 HTR2A (0.55) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL1487269 0.68 HTR2A (0.53) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL1134916 0.68 KDM4E (0.50) ALDH1A1
SCHEMBL14720852 0.68 USP2 (0.54) HTR2AHTR2CUSP2HPGDHSD17B10
SCHEMBL12315354 0.68 HTR2A (0.74) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL27863316 0.68 HTR2A (0.53) HTR2A
SCHEMBL2426347 0.67 LSS (0.58)
SCHEMBL14625270 0.67 HTR2A (0.76) HTR2AHTR2CL3MBTL1ALDH1A1GAA
Hydrochloric Acid SCHEMBL27712305 0.67 HTR2A (0.53) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 HTR2A 3250/4885HTR2C 2716/4885USP2 1630/4885

“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.