SCHEMBL6180627

SCHEMBL6180627

COc1ccccc1C1CCN(C[C@@H](Cc2ccncc2)NC(=O)C2(C)CCCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.51
HTR1A P08908 1/20 0.51
DRD3 P35462 1/20 0.51
DRD2 P14416 2/20 0.43
ITGA4 P13612 4/20 0.42
ITGB7 P26010 4/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
OPRM1 P35372 1/20 0.41
ATM Q13315 1/20 0.40
CHRM4 P08173 1/20 0.40
MAPK1 P28482 1/20 0.40
CACNA1G O43497 1/20 0.40
KCNH2 Q12809 1/20 0.40
ITGB1 P05556 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
SCHEMBL6177901 0.93 MEN1 (0.50) DRD4HTR1ADRD3DRD2ITGA4
SCHEMBL6176842 0.91 DRD4 (0.63) DRD4HTR1ADRD3DRD2ITGA4
SCHEMBL6181828 0.84 MEN1 (0.45) DRD4HTR1ADRD2MEN1KMT2A
Cyclohexane SCHEMBL6179896 0.81 MEN1 (0.57) DRD4HTR1ADRD2MEN1KMT2A
SCHEMBL6180433 0.81 MEN1 (0.53) DRD4DRD2MEN1KMT2AOPRM1
Cyclohexane SCHEMBL6181887 0.80 MEN1 (0.50) DRD4DRD2MEN1KMT2AATM
SCHEMBL6178285 0.79 MEN1 (0.55) DRD4HTR1ADRD2MEN1KMT2A
SCHEMBL6179800 0.78 MEN1 (0.53) DRD4HTR1ADRD2MEN1KMT2A
SCHEMBL6176194 0.77 MEN1 (0.52) DRD4HTR1ADRD2MEN1KMT2A
SCHEMBL6180428 0.77 MEN1 (0.50) DRD4DRD2MEN1KMT2AATM

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
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-B1 ARYLPIPERIDINE AND ARYL-1,2,5,6-TETRAHYDROPYRIDINE AMIDE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY WYETH CORP (US) 2005-05-04 EP disclosed
US-20020035263-A1 Novel arylpiperidine and aryl-1,2,5,6-tetrahydropyridine amide derivatives AMERICAN HOME PRODUCTS CORPORATION 2002-03-21 US disclosed
US-6326381-B1 PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-12-04 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-20020035263-A1 Novel arylpiperidine and aryl-1,2,5,6-tetrahydropyridine amide derivatives ADRA1D, ADH1C, HTR1D DRD4 7/4885HTR1A 11/4885DRD3 10/4885

“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.