SCHEMBL7246237

SCHEMBL7246237

CN1CCN(c2ccc(CO)c3c2C(N)CCC3)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.36
CHKA P35790 1/20 0.35
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
DRD1 P21728 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
ADRA2C P18825 1/20 0.33
MAPT P10636 1/20 0.33
RAD52 P43351 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR3E A5X5Y0 2/20 0.32
HTR3B O95264 2/20 0.32
HTR3A P46098 2/20 0.32
HTR3D Q70Z44 2/20 0.32
HTR3C Q8WXA8 2/20 0.32
DRD4 P21917 2/20 0.32
HTR2A P28223 2/20 0.32

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
SCHEMBL27546915 0.89 DRD2 (0.41) NCF1DRD2DRD3DRD1KDM4E
SCHEMBL27546910 0.83 ADRA2C (0.37) NCF1DRD2DRD3DRD1KDM4E
SCHEMBL27567085 0.81 ADRA2C (0.36) NCF1DRD2DRD1KDM4EALDH1A1
SCHEMBL10280591 0.78 S1PR1 (0.34) CYP11B1CYP11B2
SCHEMBL27375281 0.73 ADRA2C (0.45) NCF1DRD2DRD3ADRA2CDRD4
SCHEMBL5021148 0.67 ADRA1A (0.50) DRD2DRD3ALDH1A1
SCHEMBL27513258 0.65 DRD2 (0.49) NCF1CHKADRD2DRD3KDM4E
SCHEMBL189132 0.65 MAPT (0.59) NCF1CHKAKDM4EALDH1A1POLB
SCHEMBL29507839 0.65 MAPT (0.59) NCF1CHKAKDM4EALDH1A1POLB
SCHEMBL19697419 0.65 GAA (0.44) DRD2DRD3KDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534652-B2 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxytryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic ASTRAZENECA AB (SE) 2003-03-18 US disclosed
US-20010051623-A1 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxytryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic ASTRAZENECA AB (SE) 2001-12-13 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-20010051623-A1 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxytryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic HTR1D, HTR1F, HTR2C NCF1 931/4885CHKA 876/4885DRD2 49/4885

“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.