SCHEMBL4816102

SCHEMBL4816102

Nc1ccc2nc(C3CC3)cc(N)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ MCHR1 Q99705 3/20 0.41
▸ ACHE P22303 4/20 0.41
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ GFER P55789 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EPRS1 P07814 1/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ PLAU P00749 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL5349078 0.93 MCHR1 (0.47) POLBMCHR1ACHEMAPTKDM4E
SCHEMBL5352801 0.93 MCHR1 (0.47) POLBMCHR1ACHEMAPTKDM4E
SCHEMBL5366354 0.92 MAPT (0.48) POLBMCHR1ACHEMAPTKDM4E
SCHEMBL5347416 0.75 PLAU (0.55) POLBACHEMAPTKDM4EGFER
SCHEMBL5356709 0.74 MCHR1 (0.55) POLBMCHR1MAPTKDM4EHSD17B10
SCHEMBL28476846 0.74 PLAU (0.52) POLBACHEMAPTKDM4EALDH1A1
SCHEMBL4817686 0.72 DHODH (0.53) POLBACHEMAPTKDM4EGFER
SCHEMBL5348766 0.72 ACHE (0.38) MCHR1ACHEMAPTKDM4EGFER
SCHEMBL30998387 0.71 HRH4 (0.50) POLBACHEKDM4EALDH1A1HPGD
SCHEMBL31677954 0.71 POLB (0.49) POLBACHEMAPTKDM4EALDH1A1

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
US-7348340-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2008-03-25 — — US disclosed
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2007-06-07 — — US disclosed
US-7189714-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2007-03-13 — — 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-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G POLB 4819/4885MCHR1 1443/4885ACHE 140/4885

“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.

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