SCHEMBL4637075

SCHEMBL4637075

O=C(CCN1CCN(c2cccc(Cl)c2Cl)CC1)N1CCc2cc(F)ccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.51
DRD3 P35462 10/20 0.51
DRD4 P21917 4/20 0.51
HTR1A P08908 4/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2A P28223 2/20 0.47
PTPN11 Q06124 2/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL5654785 0.94 DRD2 (0.54) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL5654212 0.93 DRD2 (0.55) DRD2DRD3DRD4HTR1AADRA1D
SCHEMBL5657822 0.93 DRD2 (0.56) DRD2DRD4HTR1ASLC6A2SLC6A3
SCHEMBL5657246 0.87 DRD2 (0.65) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL5657324 0.87 TSHR (0.52) DRD2DRD3DRD4HTR1AADRA1A
SCHEMBL5656889 0.85 PTPN11 (0.58) DRD2DRD4PTPN11ALDH1A1TSHR
SCHEMBL5657836 0.85 HTR1A (0.60) DRD2DRD4HTR1APTPN11ALDH1A1
SCHEMBL5655876 0.84 NOTUM (0.52) DRD2DRD4HTR1AADRA1DADRA1A
SCHEMBL5655729 0.83 PTPN11 (0.58) DRD2DRD3DRD4HTR1ASLC6A2
SCHEMBL5654681 0.81 DRD2 (0.61) DRD2DRD3DRD4HTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074796-B2 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2006-07-11 US claimed
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
EP-1246817-B1 4-PHENYL-1-PIPERAZINYL, -PIPERIDINYL AND -TETRAHYDROPYRIDYL DERIVATIVES LUNDBECK & CO AS H (DK) 2004-06-23 EP disclosed
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2003-02-06 US disclosed
US-20020193599-A1 Dihydropyridines and new uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-19 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 (3 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 DRD2 27/4885DRD3 22/4885DRD4 10/4885
US-20020193599-A1 Dihydropyridines and new uses thereof BPHL, BCKDK, DHCR7 DRD2 1009/4885DRD3 373/4885DRD4 730/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 DRD2 3/4885DRD3 2/4885DRD4 10/4885

“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.