SCHEMBL6177728

SCHEMBL6177728

COc1ccccc1C1CCN(C[C@@H](Cc2ccncc2)N(C)C(=O)C2CCCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.56
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
DRD2 P14416 2/20 0.42
PROKR1 Q8TCW9 1/20 0.40
DRD4 P21917 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR1B P28222 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ATM Q13315 1/20 0.39
CHRM4 P08173 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
SCHEMBL6178420 0.91 HTR1A (0.54) HTR1AMEN1KMT2ADRD2TSHR
Cyclohexane SCHEMBL6180435 0.90 MEN1 (0.48) HTR1AMEN1KMT2ADRD2PROKR1
SCHEMBL7760241 0.85 MEN1 (0.54) HTR1AMEN1KMT2ADRD2DRD4
Cyclohexane SCHEMBL6178387 0.81 MEN1 (0.48) HTR1AMEN1KMT2ADRD2PROKR1
SCHEMBL6180428 0.78 MEN1 (0.50) MEN1KMT2ADRD2DRD4ATM
SCHEMBL6181828 0.77 MEN1 (0.45) HTR1AMEN1KMT2ADRD2DRD4
SCHEMBL6181848 0.76 MEN1 (0.55) MEN1KMT2ADRD2DRD4HTR7
SCHEMBL6180433 0.75 MEN1 (0.53) MEN1KMT2ADRD2DRD4HTR7
SCHEMBL6178285 0.75 MEN1 (0.55) HTR1AMEN1KMT2ADRD2DRD4
SCHEMBL6180627 0.75 DRD4 (0.51) HTR1AMEN1KMT2ADRD2DRD4

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 6 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-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 HTR1A 11/4885MEN1 2956/4885KMT2A 945/4885

“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.