SCHEMBL9338129

SCHEMBL9338129

CCC(O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
SLC6A2 P23975 10/20 0.45
SLC6A4 P31645 10/20 0.45
SLC6A3 Q01959 9/20 0.45
CYP3A4 P08684 7/20 0.45
CYP2D6 P10635 7/20 0.45
KCNH2 Q12809 5/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC2A1 P11166 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
SCHEMBL14047172 1.00 LMNA (0.48) LMNAHTR1AHTR7SLC6A2SLC6A4
SCHEMBL13778643 1.00 LMNA (0.48) LMNAHTR1AHTR7SLC6A2SLC6A4
SCHEMBL9444870 0.84 PTPN5 (0.51) LMNASLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL11490664 0.84 SLC6A2 (0.46) LMNAHTR1AHTR7SLC6A2SLC6A4
SCHEMBL18406260 0.82 LMNA (0.44) LMNASLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL11483225 0.82 SLC6A4 (0.49) LMNAHTR1AHTR7SLC6A2SLC6A4
SCHEMBL11486383 0.81 SLC6A4 (0.45) LMNAHTR1AHTR7SLC6A2SLC6A4
SCHEMBL8420289 0.81 HTR1A (0.46) LMNAHTR1AHTR7SLC6A2SLC6A4
SCHEMBL22612419 0.81 HTR1A (0.46) LMNAHTR1AHTR7SLC6A2SLC6A4
SCHEMBL3510683 0.81 HTR1A (0.46) LMNAHTR1AHTR7SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192206-A1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS VAN LOMMEN GUY ROSALIA EUGEEN 2009-07-30 US disclosed
US-20090192206-A1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS VAN LOMMEN GUY ROSALIA EUGEEN 2009-07-30 US disclosed
US-7511068-B2 Mercaptoimidazoles as CCR2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-31 US disclosed
US-7511068-B2 Mercaptoimidazoles as CCR2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2009-03-31 US disclosed
EP-0450995-B1 New propanamines, their pharmacological properties and their therapeutical applications, notably as anti-diarrhoea agents JOUVEINAL SA (FR) 1994-06-08 EP disclosed
US-5236947-A Side effect reduction JOUVEINAL S.A. (FR) 1993-08-17 US disclosed
US-5143938-A PROPANAMINES, THEIR PHARMACOLOGICAL PROPERTIES AND THEIR APPLICATION FOR THERAPEUTIC IN PARTICULAR ANTIDIARRHEAL, PURPOSES JOUVEINAL S.A. (FR) 1992-09-01 US disclosed
EP-0450995-A1 New propanamines, their pharmacological properties and their therapeutical applications, notably as anti-diarrhoea agents JOUVEINAL S.A. (FR) 1991-10-09 EP disclosed
EP-0018144-A1 A process for the preparation of substituted 2-aminopyrazines ELI LILLY AND COMPANY (US) 1980-10-29 EP disclosed
EP-0017494-A2 Hydroxyimino-substituted aminoacetonitrile intermediates and their preparation ELI LILLY AND COMPANY (US) 1980-10-15 EP disclosed
US-4211870-A FROM AMINOACETONITRILE AND A PHENYL A-HALO OXIME ELI LILLY AND COMPANY (US) 1980-07-08 US disclosed
US-4199525-A Hydroxyimino-substituted aminoacetonitriles ELI LILLY AND COMPANY (US) 1980-04-22 US disclosed
US-4185992-A Imidazole derivatives MAY & BAKER LIMITED (GB) 1980-01-29 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 (1 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-20090192206-A1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS CCR2, CCR1, CXCR3 LMNA 4664/4885HTR1A 213/4885HTR7 69/4885

“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.