SCHEMBL4636862

SCHEMBL4636862

O=C(O)CSc1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
PRNP P04156 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
STAT3 P40763 1/20 0.48
GPR84 Q9NQS5 1/20 0.47
NR4A2 P43354 1/20 0.47
IDO1 P14902 1/20 0.46
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 2/20 0.44

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
SCHEMBL5731924 0.80 IDO1 (0.55) GPR84NR4A2IDO1ALDH1A1MAPT
SCHEMBL3396574 0.78 STAT3 (0.74) HSD17B10STAT3ALDH1A1CYP3A4MAPT
SCHEMBL29623480 0.74 GPR84 (0.65) KDM4EGPR84NR4A2F7F3
SCHEMBL840736 0.74 GPR84 (0.65) KDM4EGPR84NR4A2F7F3
SCHEMBL27528640 0.73 NR4A2 (0.47) HSD17B10GPR84NR4A2IDO1F7
SCHEMBL3071195 0.73 KDM4E (0.55) KDM4EPRNPRXFP1RAB9AHSD17B10
SCHEMBL30392504 0.73 F7 (0.74) KDM4EGPR84NR4A2F7F3
SCHEMBL29940735 0.73 IDO1 (0.57) GPR84NR4A2IDO1ALDH1A1
SCHEMBL30299431 0.73 KDM4E (0.55) KDM4EPRNPRXFP1RAB9AHSD17B10
SCHEMBL4273513 0.73 TDP1 (0.57) KDM4EPRNPRXFP1RAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464641-B1 4-Phenyl-piperazinyl, -piperidinyl and tetrahydropyridyl derivatives as dopamine D4 antagonists LUNDBECK & CO AS H (DK) 2008-05-14 EP disclosed
US-7223765-B2 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2007-05-29 US disclosed
US-7074796-B2 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2006-07-11 US disclosed
US-20060148815-A1 4-Phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2006-07-06 US disclosed
EP-1464641-A1 4-Phenyl-piperazinyl, -piperidinyl and tetrahydropyridyl derivatives as dopamine D4 antagonists H. Lundbeck A/S (DK) 2004-10-06 EP disclosed
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2003-02-06 US disclosed
EP-1246817-A1 4-PHENYL-1-PIPERAZINYL, -PIPERIDINYL AND -TETRAHYDROPYRIDYL DERIVATIVES H. Lundbeck A/S (DK) 2002-10-09 EP disclosed
WO-2001049679-A1 4-PHENYL-1-PIPERAZINYL, -PIPERIDINYL AND -TETRAHYDROPYRIDYL DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 WO 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-20060148815-A1 4-Phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridyl derivatives OPRD1, VDR, GPR4 KDM4E 1483/4885PRNP 3896/4885RXFP1 641/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 KDM4E 1104/4885PRNP 4353/4885RXFP1 554/4885

“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.