SCHEMBL7239754

SCHEMBL7239754

CN1CCN(c2ccc(O)c3c2C[C@H](NC(=O)c2ccc(N4CCOCC4)cc2)CC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.49
DRD2 P14416 6/20 0.46
DRD3 P35462 6/20 0.46
HTR2A P28223 5/20 0.46
AR P10275 2/20 0.44
RAD52 P43351 1/20 0.44
HDAC3 O15379 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
KCNH2 Q12809 2/20 0.43
SCN9A Q15858 2/20 0.43
SCN5A Q14524 1/20 0.43
BRD4 O60885 1/20 0.42
WDR5 P61964 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7239758 1.00 USP30 (0.49) USP30DRD2DRD3HTR2AAR
SCHEMBL5106853 0.90 USP30 (0.49) USP30DRD2DRD3HTR2AAR
SCHEMBL3828127 0.90 USP30 (0.49) USP30DRD2DRD3HTR2AAR
SCHEMBL29358671 0.90 USP30 (0.49) USP30DRD2DRD3HTR2AAR
Hydrochloric Acid SCHEMBL7244869 0.90 USP30 (0.48) USP30DRD2DRD3HTR2AAR
SCHEMBL7240506 0.90 USP30 (0.48) USP30DRD2DRD3HTR2AAR
Hydrochloric Acid SCHEMBL7786681 0.90 USP30 (0.48) USP30DRD2DRD3HTR2AAR
SCHEMBL6820304 0.90 USP30 (0.48) USP30DRD2DRD3HTR2AAR
Bromide SCHEMBL7990792 0.90 USP30 (0.48) USP30DRD2DRD3HTR2AAR
Hydrochloric Acid SCHEMBL7786685 0.90 USP30 (0.48) USP30DRD2DRD3HTR2AAR

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
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
EP-1000048-B1 SUBSTITUTED 1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-27 EP disclosed
US-6410532-B2 8-(PIPERIDIN-4-YL- OR PIPERAZIN-1-YL)-2-SUBSTITUTED-TETRALIN DERIVATIVES; SELECTIVE EFFECT AT A SUBGROUP OF 5-HYDROXY-TRYPTAMINE RECEPTORS, H5-HT1B RECEPTORS (PREVIOUSLY 5-HT1D BETA); ANTAGONISTS; MOOD DISORDERS, ANTIANXIOLYTIC ASTRAZENECA AB (SE) 2002-06-25 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
US-20010051626-A1 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxy-tryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic ASTRAZENECA AB (SE) 2001-12-13 US disclosed
US-6313118-B1 HYDROXYTRYPTAMINE RECEPTOR ANTAGONISTS ASTRA AKTIEBOLAG (SE) 2001-11-06 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 (2 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 USP30 4707/4885DRD2 49/4885DRD3 75/4885
US-20010051626-A1 8-(Piperidin-4-yl- or piperazin-1-yl)-2-substituted-tetralin derivatives; selective effect at a subgroup of 5-hydroxy-tryptamine receptors, h5-HT1B receptors (previously 5-HT1D beta); antagonists; mood disorders, antianxiolytic HTR1D, HTR1F, HTR2C USP30 4753/4885DRD2 52/4885DRD3 65/4885

“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.