SCHEMBL7230721

SCHEMBL7230721

CCC(N(C)C)n1cc(C(=O)CN2CCCCC2)cc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP14 P54578 3/20 0.41
USP7 Q93009 1/20 0.41
HRH3 Q9Y5N1 5/20 0.41
ALPL P05186 1/20 0.40
ALPG P10696 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOB P27338 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7230715 0.77 HRH3 (0.45) USP14USP7HRH3ALPLALPG
Dimethylamine SCHEMBL7230728 0.76 HRH3 (0.44) USP14USP7HRH3ALPLALPG
SCHEMBL6952914 0.74 MAOB (0.50) USP14USP7HRH3ALPLALPG
SCHEMBL26921088 0.73 ALDH1A1 (0.62) USP14USP7HRH3ALPLALPG
Hydrochloric Acid SCHEMBL6957210 0.72 MAOB (0.48) USP14USP7HRH3ALPLALPG
SCHEMBL26921192 0.71 ALDH1A1 (0.59) USP14USP7HRH3ALPLALPG
SCHEMBL7233635 0.71 ADORA1 (0.46) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL7226430 0.68 HTT (0.49) USP14USP7HRH3ALPLALPG
SCHEMBL7231004 0.66 ALDH1A1 (0.44) HRH3ALPLALPGALDH1A1KDM4E
SCHEMBL15340905 0.66 KMT2A (0.64) HRH3ALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002002521-A2 AROYL AMINOACYL PYRROLE COMPOUNDS AND THEIR PHARMACEUTICAL USE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-01-10 WO claimed
US-6573267-B2 Central nervous system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-03 US disclosed
US-20020019436-A1 Useful aroyl aminoacyl pyrrole compounds ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-02-14 US disclosed
WO-2002002521-A2 AROYL AMINOACYL PYRROLE COMPOUNDS AND THEIR PHARMACEUTICAL USE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-01-10 WO 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-20020019436-A1 Useful aroyl aminoacyl pyrrole compounds ABAT, GAP43, AADAT USP14 3445/4885USP7 4116/4885HRH3 1152/4885

“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.