SCHEMBL4297903

SCHEMBL4297903

[O]CC(=O)N1CCC(CCCN2CCCC2)(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.38
CYP3A4 P08684 7/20 0.38
CYP2D6 P10635 7/20 0.38
CYP2C9 P11712 6/20 0.38
ALDH1A1 P00352 2/20 0.38
CASP1 P29466 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ITGB3 P05106 5/20 0.37
ITGA2B P08514 5/20 0.37
HSD11B1 P28845 1/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 2/20 0.37
EPHX2 P34913 1/20 0.36
GAA P10253 1/20 0.36
TACR1 P25103 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3442613 0.87 ITGB3 (0.40) CCR5CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL4294627 0.86 MEN1 (0.46) CCR5ALDH1A1EPHX2GAATACR1
SCHEMBL10282911 0.81 CCR5 (0.58) CCR5CYP2C9TACR1
SCHEMBL10246284 0.81 HRH3 (0.44) CYP3A4TDP1L3MBTL1HRH3CYP1A2
SCHEMBL10247751 0.77 CYP3A4 (0.45) CYP3A4CYP2D6CYP2C9ALDH1A1TDP1
SCHEMBL708425 0.77 MEN1 (0.45) CCR5ALDH1A1HRH3EPHX2MEN1
Hydrochloric Acid SCHEMBL702159 0.76 CYP3A4 (0.44) CYP3A4CYP2D6CYP2C9ALDH1A1TDP1
SCHEMBL3441928 0.75 NAMPT (0.42) CCR5ALDH1A1TDP1L3MBTL1HRH3
SCHEMBL3441805 0.75 MEN1 (0.43) CCR5ALDH1A1EPHX2MEN1KMT2A
SCHEMBL701128 0.74 MEN1 (0.45) CCR5ALDH1A1HRH3EPHX2GAA

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-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 CCR5 1218/4885CYP3A4 750/4885CYP2D6 349/4885

“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.