SCHEMBL6178420

SCHEMBL6178420

COc1ccccc1C1CCN(C[C@@H](Cc2cccnc2)N(C)C(=O)C2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.54
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.44
DRD2 P14416 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TRPV6 Q9H1D0 1/20 0.40
CHRM4 P08173 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6177728 0.91 HTR1A (0.56) HTR1AKMT2AMEN1DRD2TSHR
Cyclohexane SCHEMBL6178387 0.91 MEN1 (0.48) HTR1AKMT2AMEN1MAPTDRD2
SCHEMBL7760241 0.83 MEN1 (0.54) HTR1AKMT2AMEN1DRD2CHRM4
Cyclohexane SCHEMBL6180435 0.81 MEN1 (0.48) HTR1AKMT2AMEN1DRD2CHRM4
SCHEMBL6180578 0.79 MEN1 (0.50) KMT2AMEN1DRD2TRPV6CHRM4
SCHEMBL6177540 0.78 MEN1 (0.46) HTR1AKMT2AMEN1MAPTDRD2
SCHEMBL7968949 0.78 MEN1 (0.45) HTR1AKMT2AMEN1DRD2TRPV6
SCHEMBL6178229 0.78 MEN1 (0.55) HTR1AKMT2AMEN1DRD2TRPV6
SCHEMBL6180581 0.76 MEN1 (0.53) KMT2AMEN1DRD2TRPV6CHRM4
SCHEMBL6176842 0.76 DRD4 (0.63) HTR1AKMT2AMEN1DRD2TRPV6

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-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

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 11/4885KMT2A 945/4885MEN1 2956/4885

“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.