SCHEMBL6639009

SCHEMBL6639009

c1cc2[nH]ccc2c(C2CCNCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.46
JAK3 P52333 4/20 0.46
JAK1 P23458 4/20 0.46
TYK2 P29597 3/20 0.46
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
ROCK1 Q13464 2/20 0.44
ROCK2 O75116 1/20 0.44
HTR2C P28335 2/20 0.41
ADRB2 P07550 1/20 0.41
TRPA1 O75762 2/20 0.37
ADRB1 P08588 1/20 0.36
HTR6 P50406 1/20 0.36
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
PRKCI P41743 1/20 0.34
SLC18A3 Q16572 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL30735496 0.72 HTR2C (0.50) HTR2CADRB2SLC18A3SIGMAR1
SCHEMBL6275687 0.72 HTR2C (0.50) HTR2CADRB2SLC18A3SIGMAR1
SCHEMBL12605434 0.71 ROCK1 (0.56) JAK2JAK3JAK1TYK2MKNK1
SCHEMBL6637094 0.71 HTR2C (0.51) JAK2JAK3JAK1TYK2MKNK1
SCHEMBL10676145 0.70 HTR2C (0.63) JAK2JAK3JAK1TYK2HTR2C
SCHEMBL6638468 0.70 HTR2C (0.52) JAK2JAK3JAK1TYK2MKNK1
SCHEMBL4142576 0.69 MKNK1 (0.42) JAK2JAK3JAK1TYK2MKNK1
SCHEMBL27628448 0.68 HTR2C (0.50) HTR2CHTR6SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL29862525 0.68 ALDH1A1 (0.38) MKNK1MKNK2HTR2CADRB2SLC18A3
Hydrochloric Acid SCHEMBL28834267 0.68 ALDH1A1 (0.38) MKNK1MKNK2HTR2CADRB2SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1078928-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-05-12 EP disclosed
US-6486171-B2 USEFUL IN THE TREATMENT OF SOME CENTRAL NERVOUS SYSTEM DISORDERS INCLUDING AS AN ANTIDEPRESSANT; 4-(1-(2-NAPHTHYL)ETHYL)-4- PIPERIDINYL)THIENO(3,2-C)PYRIDINE, FOR EXAMPLE LES LABORATOIRES SERVIER (FR) 2002-11-26 US disclosed
US-20020161228-A1 Piperidine compounds ADIR ET COMPAGNIE 2002-10-31 US disclosed
US-6399616-B1 4-(4-(2-(5-(1,2,4-TRIAZOL-1-YLMETHYL)-1H-INDOL-3-YL)ETHYL)-1 -PIPERAZINYL)FURO(3,2-C)PYRIDINE; COMBINED SEROTONIN REUPTAKE INHIBITOR AND PARTIAL AGONIST OF 5-HT RECEPTORS; REDUCED LATENCY; DEPRESSION LES LABORATOIRES SERVIER (FR) 2002-06-04 US disclosed
EP-1078928-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-02-28 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 (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-20020161228-A1 Piperidine compounds OTC, NPPA, AQP4 JAK2 160/4885JAK3 1228/4885JAK1 787/4885

“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.