SCHEMBL4847406

SCHEMBL4847406

N=C(N)CCc1cccc(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.68
HTR3B O95264 3/20 0.68
HTR3A P46098 3/20 0.68
HTR3D Q70Z44 3/20 0.68
HTR3C Q8WXA8 3/20 0.68
TAAR1 Q96RJ0 4/20 0.58
IDO1 P14902 3/20 0.57
PNMT P11086 1/20 0.52
AOC3 Q16853 1/20 0.50
WDR5 P61964 1/20 0.49
GRIN2B Q13224 3/20 0.47
CYP3A4 P08684 1/20 0.47
AGXT P21549 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47

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
Hydrochloric Acid SCHEMBL3662434 0.98 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL1630186 0.98 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30572312 0.81 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2473717 0.81 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27629803 0.81 TAAR1 (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1622220 0.81 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18703991 0.80 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18703992 0.80 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL31606746 0.80 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL1300686 0.79 HTR3E (0.96) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462620-B2 Pyrimidinone derivatives and their use in the treatment of atherosclerosis SMITHKLINE BEECHAM, PLC (GB) 2008-12-09 US disclosed
US-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis ELLIOTT RICHARD L 2006-10-26 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-20060241126-A1 Pyrimidinone Derivatives and Their Use in the Treatment of Atherosclerosis PLA2G7, PLA2G1B, PLA2G4B HTR3E 2715/4885HTR3B 1983/4885HTR3A 2575/4885

“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.