SCHEMBL4825985

SCHEMBL4825985

CC(=O)Nc1ccc2nc(-c3ccc(C4CCCCC4)cc3)cc(N)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.52
▸ MCHR1 Q99705 5/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ MOK Q9UQ07 2/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ PDE10A Q9Y233 2/20 0.46
▸ MEN1 O00255 5/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ GNG2 P59768 1/20 0.45
▸ GNB1 P62873 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 3/20 0.43

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
SCHEMBL4824471 0.88 DHODH (0.53) DHODHCYP2D6CYP2C9MOKKMT2A
SCHEMBL4816085 0.86 DHODH (0.50) DHODHMCHR1CYP2D6CYP2C9MOK
SCHEMBL4817686 0.80 DHODH (0.53) DHODHKMT2AKDM4EMEN1ALDH1A1
SCHEMBL5356709 0.79 MCHR1 (0.55) MCHR1CYP2D6CYP2C9KMT2AKDM4E
SCHEMBL5740185 0.75 AGPAT2 (0.53) DHODHMCHR1TP53CYP1A2MAPT
SCHEMBL16022196 0.75 SLC18A3 (0.62) DHODHCYP2D6CYP2C9KMT2AKDM4E
SCHEMBL3822159 0.74 SLC18A3 (0.67) DHODHCYP2D6CYP2C9KMT2AKDM4E
SCHEMBL5741701 0.73 MCHR1 (0.48) DHODHMCHR1
SCHEMBL5742057 0.73 MCHR1 (0.42) DHODHMCHR1
SCHEMBL15157030 0.72 SLC18A3 (0.68) DHODHKMT2AKDM4EMEN1ALDH1A1

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 9 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
EP-1339706-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-04-19 — — EP disclosed
US-6815447-B2 6-N-(2-AMINO-PYRIMIDIN-4-YL)QUINOLINE-6-AMINE DERIVATIVES; ANALGESICS ASTRAZENECA AB (SE) 2004-11-09 — — US disclosed
US-20040077644-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-04-22 — — US disclosed
US-20040058945-A1 N-type calcium channel antagonists for the treatment of pain CHAUDHARI BIPINCHANDRA (US) 2004-03-25 — — US disclosed
EP-1339706-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 — — EP disclosed
WO-2002036586-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 — — 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 (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-20040077644-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A DHODH 3409/4885MCHR1 1500/4885CYP2D6 3227/4885
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G DHODH 3089/4885MCHR1 1443/4885CYP2D6 2803/4885
US-20040058945-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A DHODH 3409/4885MCHR1 1500/4885CYP2D6 3227/4885

“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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