SCHEMBL12075520

SCHEMBL12075520

CC(NC(=O)N(C)C1CCN(C)CC1)c1ccc(S)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 3/20 0.43
▸ ACACB O00763 5/20 0.43
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ GHSR Q92847 5/20 0.40
▸ HTT P42858 1/20 0.40
▸ WNT1 P04628 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL12005166 0.88 GAA (0.50) CCR5ACACBHTR2AHTR2CGHSR
SCHEMBL12004655 0.84 HTR2A (0.50) CCR5ACACBHTR2AHTR2CMAPT
SCHEMBL12005036 0.82 CCR5 (0.50) CCR5HTR2AHTR2CLMNAGHSR
SCHEMBL12004803 0.80 NPY5R (0.47) CCR5HTR2AHTR2CMAPTHTT
SCHEMBL12004406 0.80 HTR2A (0.48) CCR5HTR2AHTR2CMAPTGHSR
SCHEMBL12006140 0.79 HTT (0.56) CCR5HTR2AHTR2CMAPTGHSR
SCHEMBL18686204 0.78 GHSR (0.54) HTR2AGHSRHTT
SCHEMBL12004926 0.77 GHSR (0.61) CCR5HTR2AHTR2CGHSRHTT
SCHEMBL12004560 0.77 GHSR (0.51) CCR5HTR2AHTR2CMAPTGHSR
SCHEMBL17207682 0.76 TSHR (0.46) CCR5HTR2ALMNAMAPTHTT

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-20120220629-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2012-08-30 — — 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-20120220629-A1 ASYMMETRIC UREAS AND MEDICAL USES THEREOF UTS2R, GPR119, GHSR CCR5 3085/4885ACACB 2262/4885HTR2A 619/4885

“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.

Send feedback