SCHEMBL6033683

SCHEMBL6033683

Cc1c(N)ncnc1-c1ccc2cccnc2c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
CCR1 P32246 4/20 0.47
CCR8 P51685 4/20 0.47
MAPT P10636 4/20 0.47
CCR5 P51681 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSP90AA1 P07900 2/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
MMP2 P08253 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MMP9 P14780 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MMP8 P22894 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
SCHEMBL6033732 0.87 LMNA (0.45) LMNACCR1CCR8MAPTCCR5
SCHEMBL6033613 0.87 LMNA (0.45) LMNACCR1CCR8MAPTCCR5
SCHEMBL6033753 0.87 LMNA (0.46) LMNACCR1CCR8MAPTCCR5
SCHEMBL6034051 0.85 LMNA (0.43) LMNACCR1CCR8MAPTCCR5
SCHEMBL6034158 0.75 LMNA (0.47) LMNACCR1CCR8MAPTCCR5
SCHEMBL6033733 0.73 LMNA (0.47) LMNACCR1CCR8MAPTCCR5
SCHEMBL6034071 0.72 ALDH1A1 (0.49) HTTMTORALDH1A1TGFBR1NPC1
SCHEMBL6033047 0.72 TGFBR1 (0.42) MAPTKDM4EHTTSMN1; SMN2HSP90AA1
SCHEMBL3070366 0.72 LMNA (0.63) LMNACCR1CCR8MAPTCCR5
SCHEMBL15308489 0.71 LMNA (0.52) LMNACCR1CCR8MAPTCCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685124-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2006-08-02 EP disclosed
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain HOLLINGWORTH GREGORY J (GB) 2005-09-08 US disclosed
WO-2005047279-A1 SUBSTITUTED NITROGEN-CONTAINING SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2005-05-26 WO 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-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain OPRL1, OPRK1, CNR1 LMNA 3939/4885CCR1 355/4885CCR8 1360/4885

“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.