SCHEMBL5657324

SCHEMBL5657324

O=C(CCCN1CCN(c2ccccc2Cl)CC1)N1CCc2cc(F)ccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MCHR1 Q99705 1/20 0.52
USP2 O75604 1/20 0.52
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
DRD2 P14416 4/20 0.49
DRD4 P21917 3/20 0.49
CACNA1G O43497 1/20 0.49
PTPN11 Q06124 2/20 0.48
HTR7 P34969 5/20 0.47
HTR1A P08908 3/20 0.47
DRD3 P35462 3/20 0.47
DRD1 P21728 1/20 0.47
NOTUM Q6P988 1/20 0.46
TP53 P04637 1/20 0.46
ADRA1A P35348 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL5657822 0.94 DRD2 (0.56) TSHRALDH1A1MCHR1USP2MEN1
SCHEMBL5654785 0.93 DRD2 (0.54) DRD2DRD4HTR7HTR1ADRD3
SCHEMBL5654257 0.91 PTPN11 (0.56) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL5654212 0.90 DRD2 (0.55) MEN1KMT2ADRD2DRD4HTR7
SCHEMBL5654699 0.88 KMT2A (0.65) TSHRALDH1A1MCHR1MEN1MAPT
SCHEMBL5658140 0.88 PTPN11 (0.55) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL4637075 0.87 DRD2 (0.51) TSHRALDH1A1USP2DRD2DRD4
SCHEMBL5658108 0.87 MAPT (0.57) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL5657064 0.85 MAPT (0.64) TSHRALDH1A1MEN1MAPTKMT2A
SCHEMBL5656889 0.84 PTPN11 (0.58) TSHRALDH1A1MEN1MAPTKMT2A

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
US-7223765-B2 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2007-05-29 US claimed
US-20060148815-A1 4-Phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridyl derivatives H. LUNDBECK A/S (DK) 2006-07-06 US claimed
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

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 TSHR 114/4885ALDH1A1 1411/4885MCHR1 855/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 TSHR 1103/4885ALDH1A1 1137/4885MCHR1 800/4885

“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.