SCHEMBL5657225

SCHEMBL5657225

Clc1ccc2c(CCCI)c[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.67
GPR84 Q9NQS5 2/20 0.65
HTR2A P28223 6/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
HTR2C P28335 3/20 0.46
GFER P55789 1/20 0.46
HSD17B10 Q99714 1/20 0.46
DRD2 P14416 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR2B P41595 2/20 0.43
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL16540596 0.84 SLC6A4 (0.67) SLC6A4GPR84HTR2ATRPM8HTR2C
SCHEMBL8807278 0.84 SLC6A4 (0.67) SLC6A4GPR84HTR2ATRPM8HTR2C
SCHEMBL1971111 0.80 HTR2A (0.76) SLC6A4GPR84HTR2ATRPM8HTR2C
SCHEMBL3181757 0.80 GPR84 (0.69) SLC6A4GPR84HTR2ATRPM8HTR2C
SCHEMBL7716375 0.80 GPR84 (0.69) SLC6A4GPR84HTR2ATRPM8HTR2C
SCHEMBL24452687 0.80 GPR84 (0.69) SLC6A4GPR84HTR2ATRPM8HTR2C
SCHEMBL2404863 0.80 GPR84 (0.73) SLC6A4GPR84HTR2ATRPM8HTR2C
SCHEMBL27929621 0.79 GPR84 (1.00) SLC6A4GPR84HTR2ATRPM8MEN1
SCHEMBL1614234 0.79 SLC6A4 (0.60) SLC6A4GPR84HTR2ATRPM8GFER
Hydrochloric Acid SCHEMBL2537521 0.79 HTR2A (0.73) SLC6A4GPR84HTR2ATRPM8HTR2C

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 7 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 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 SLC6A4 208/4885GPR84 200/4885HTR2A 646/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 SLC6A4 679/4885GPR84 378/4885HTR2A 365/4885

“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.