SCHEMBL4782553

SCHEMBL4782553

C=CC(N)Sn1ccc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 4/20 0.35
▸ CCND1 P24385 4/20 0.35
▸ SLC6A2 P23975 1/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ BIRC5 O15392 1/20 0.31
▸ CDC7 O00311 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3259098 0.70 SLC6A4 (0.43) CDK4CCND1SLC6A2NOTUMSLC6A4
SCHEMBL6282815 0.70 SLC6A2 (0.41) CDK4CCND1SLC6A2HTR6NOTUM
SCHEMBL3434116 0.68 SLC6A2 (0.43) CDK4CCND1SLC6A2NOTUMKMT2A
SCHEMBL23551491 0.66 CDK4 (0.45) CDK4CCND1SLC6A2HTR6NOTUM
SCHEMBL30416543 0.66 NOTUM (0.48) CDK4CCND1HTR6NOTUMKMT2A
SCHEMBL17288078 0.66 NOTUM (0.48) CDK4CCND1HTR6NOTUMKMT2A
SCHEMBL3432890 0.66 SLC6A2 (0.41) CDK4CCND1SLC6A2HTR6NOTUM
SCHEMBL10643066 0.64 SLC6A4 (0.57) SLC6A2SLC6A4
SCHEMBL2453125 0.63 CDK4 (0.42) CDK4CCND1HTR6NOTUMKMT2A
SCHEMBL21275794 0.63 CDK4 (0.42) CDK4CCND1SLC6A2HTR6NOTUM

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 CDK4 152/4885CCND1 351/4885SLC6A2 994/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 CDK4 2099/4885CCND1 637/4885SLC6A2 1402/4885

“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.

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