SCHEMBL7608221

SCHEMBL7608221

CCN(C1CCNCC1)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SLC6A2 P23975 11/20 0.48
SLC6A4 P31645 11/20 0.48
SLC6A3 Q01959 8/20 0.48
KCNH2 Q12809 4/20 0.48
CYP2D6 P10635 5/20 0.45
RORC P51449 2/20 0.44
KMT2A Q03164 1/20 0.42
CNR2 P34972 1/20 0.42
GBA1 P04062 1/20 0.41
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL7603869 0.79 SLC6A2 (0.61) USP2SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL13434175 0.78 HSD17B10 (0.54) USP2HPGDHSD17B10SLC6A2SLC6A4
SCHEMBL31470002 0.77 USP2 (0.65) USP2HPGDHSD17B10SLC6A2SLC6A4
SCHEMBL27814646 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL24392681 0.74 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL12075444 0.73 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL4151481 0.71 CNR2 (0.45) USP2HPGDHSD17B10SLC6A2SLC6A4
SCHEMBL295502 0.71 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5428676 0.71 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3GBA1
SCHEMBL3192672 0.70 CNR2 (0.65) USP2HPGDHSD17B10RORCCNR2

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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CXCR1 USP2 4703/4885HPGD 905/4885HSD17B10 3808/4885

“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.