SCHEMBL4637101

SCHEMBL4637101

Fc1ccc2[nH]cc(CCCCCl)c2c1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MPO P05164 16/20 0.73
SLC6A4 P31645 5/20 0.65
HTR2A P28223 1/20 0.65
TRPM8 Q7Z2W7 1/20 0.65
HTR1A P08908 2/20 0.63
KMT2A Q03164 1/20 0.63
GPR84 Q9NQS5 1/20 0.63

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
SCHEMBL4636661 0.95 MPO (0.72) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL7845587 0.89 MPO (0.71) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL8806598 0.88 HTR2A (0.65) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL3705476 0.84 MPO (1.00) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL7846163 0.84 MPO (0.77) MPOSLC6A4HTR2ATRPM8
SCHEMBL5203031 0.84 MPO (0.73) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL5584045 0.84 MPO (0.73) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL7819881 0.83 MPO (1.00) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL2403830 0.83 MPO (1.00) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL6972588 0.83 MPO (1.00) MPOSLC6A4HTR2ATRPM8HTR1A

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 19 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
CN-1803784-A 4-phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives LUNDBECK CO AS H (DK) 2006-07-19 CN 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
CN-1244577-C 4-phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridinyl derivatives LUNDBECK & CO AS H (DK) 2006-03-08 CN 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-1246815-B1 PHENYLPIPERAZINYL DERIVATIVES LUNDBECK & CO AS H (DK) 2004-03-17 EP disclosed
CN-1437596-A Phenylpiperazinyl derivatives LUNDBECK & CO AS H (DK) 2003-08-20 CN disclosed
CN-1434819-A 4-phenyl-1-piperazinyl, -piperidinyl and-tetrahydropyridinyl derivatives LUNDBECK & CO AS H (DK) 2003-08-06 CN disclosed
US-20030083336-A1 Phenylpiperazinyl derivatives H. LUNDBECK A/S (DK) 2003-05-01 US 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
CN-1047385-C 3-indolylpiperidine MERCK PATENT GMBH (DE) 1999-12-15 CN disclosed
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
US-5693655-A 3-indolylpiperidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-02 US disclosed
CN-1114651-A 3-indolylpiperidine MERCK PATENT GMBH (DE) 1996-01-10 CN disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP 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 MPO 3687/4885SLC6A4 208/4885HTR2A 646/4885
US-20030083336-A1 Phenylpiperazinyl derivatives DRD4, DRD2, DRD3 MPO 2835/4885SLC6A4 39/4885HTR2A 58/4885
US-20030027832-A1 4-Phenyl-1-piperazinyl, -piperidinyl and -tetrahydropyridyl derivatives OPRD1, DRD3, DRD2 MPO 4559/4885SLC6A4 679/4885HTR2A 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.