SCHEMBL6178285

SCHEMBL6178285

COc1ccccc1C1CCN(C[C@@H](Cc2ccccc2)NC(=O)C2CCCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
HTR1A P08908 1/20 0.55
ALDH1A1 P00352 1/20 0.54
CHRM4 P08173 1/20 0.49
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6179800 0.94 MEN1 (0.53) MEN1KMT2AHTR1AALDH1A1CHRM4
Cyclohexane SCHEMBL6179896 0.91 MEN1 (0.57) MEN1KMT2AHTR1AALDH1A1CHRM4
SCHEMBL6176194 0.89 MEN1 (0.52) MEN1KMT2AHTR1AALDH1A1CHRM4
Cyclohexane SCHEMBL6181887 0.86 MEN1 (0.50) MEN1KMT2AALDH1A1CHRM4DRD2
SCHEMBL6177901 0.85 MEN1 (0.50) MEN1KMT2AHTR1ACHRM4DRD2
SCHEMBL6181828 0.83 MEN1 (0.45) MEN1KMT2AHTR1AALDH1A1CHRM4
SCHEMBL6177540 0.81 MEN1 (0.46) MEN1KMT2AHTR1AALDH1A1CHRM4
SCHEMBL7968949 0.79 MEN1 (0.45) MEN1KMT2AHTR1ACHRM4DRD2
SCHEMBL6177022 0.79 MEN1 (0.51) MEN1KMT2AHTR1AALDH1A1CYP2C19
SCHEMBL6180627 0.79 DRD4 (0.51) MEN1KMT2AHTR1ACHRM4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140830-B1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY WYETH CORP (US) 2005-05-04 EP claimed
US-20020035263-A1 Novel arylpiperidine and aryl-1,2,5,6-tetrahydropyridine amide derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-03-21 US claimed
US-6326381-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-12-04 US claimed
EP-1140830-A1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP claimed
WO-2000035874-A1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 WO claimed

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-20020035263-A1 Novel arylpiperidine and aryl-1,2,5,6-tetrahydropyridine amide derivatives ADRA1D, ADH1C, HTR1D MEN1 2956/4885KMT2A 945/4885HTR1A 11/4885

“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.