SCHEMBL5654864

SCHEMBL5654864

NC(Cl)Cc1ccccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.60
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52
TAAR1 Q96RJ0 5/20 0.50
IDO1 P14902 5/20 0.48
DPP4 P27487 1/20 0.47
PKM P14618 1/20 0.45
AOC3 Q16853 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41

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
SCHEMBL3669308 0.84 PNMT (0.56) PNMTSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL8029239 0.80 SLC6A2 (0.66) PNMTSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL17045219 0.80 PNMT (0.52) PNMTSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL268275 0.80 SLC6A2 (0.66) PNMTSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL3058311 0.80 PNMT (0.52) PNMTSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL14044081 0.80 IDO1 (0.52) PNMTSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL13692527 0.80 SLC6A2 (0.66) PNMTSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL17045232 0.80 PNMT (0.52) PNMTSLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL11666236 0.80 IDO1 (0.46) PNMTSLC6A2SLC6A4SLC6A3TAAR1
Hydrochloric Acid SCHEMBL3279906 0.78 SLC6A2 (0.63) PNMTSLC6A2SLC6A4SLC6A3TAAR1

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-7183411-B2 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-27 US disclosed
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines TRIAD THERAPEUTICS, INC. 2005-02-24 US disclosed
US-20050019825-A9 Common ligand mimics: pseudothiohydantoins TRIAD THERAPEUTICS, INC. 2005-01-27 US disclosed
US-20040157865-A1 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2004-08-12 US disclosed
WO-2004007459-A2 NAPHTHOL, QUINOLINE AND ISOQUINOLINE-DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 WO disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 WO disclosed
EP-0137145-A1 New camptothecin derivatives and process for preparing same KABUSHIKI KAISHA YAKULT HONSHA (JP) 1985-04-17 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-20050019825-A9 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 PNMT 2948/4885SLC6A2 3879/4885SLC6A4 2206/4885
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines GPR65, NR2E3, FGFR3 PNMT 3774/4885SLC6A2 2467/4885SLC6A4 1451/4885
US-20040157865-A1 Naphthol, quinoline and isoquinoline-derived urea modulators of vanilloid VR1 receptor OPRL1, VRK1, OPRK1 PNMT 530/4885SLC6A2 686/4885SLC6A4 777/4885

“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.