SCHEMBL4816085

SCHEMBL4816085

COc1cc(-c2ccc(C3CCCCC3)cc2)nc2ccc(NC(C)=O)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.50
▸ KDM4E B2RXH2 7/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ MOK Q9UQ07 3/20 0.45
▸ PDE10A Q9Y233 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ RAB9A P51151 1/20 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 0.87 DHODH (0.53) DHODHKDM4EKMT2AALDH1A1MEN1
SCHEMBL4825985 0.86 DHODH (0.52) DHODHKDM4EKMT2AALDH1A1MEN1
SCHEMBL16022196 0.74 SLC18A3 (0.62) DHODHKDM4EKMT2AALDH1A1MEN1
SCHEMBL3738216 0.73 DOT1L (0.57) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL31672140 0.73 DOT1L (0.57) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3822159 0.72 SLC18A3 (0.67) DHODHKDM4EKMT2AALDH1A1MEN1
SCHEMBL15157030 0.71 SLC18A3 (0.68) DHODHKDM4EKMT2AALDH1A1MEN1
SCHEMBL4259484 0.71 MCHR1 (0.62) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL28844498 0.71 TACR3 (0.75) DHODHKMT2AALDH1A1MEN1MAPT
SCHEMBL31392690 0.69 KDM4E (0.55) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2

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-1339688-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 — — EP disclosed
WO-2002036567-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 3409/4885KDM4E 4744/4885KMT2A 4401/4885
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G DHODH 3089/4885KDM4E 4410/4885KMT2A 4155/4885
US-20040058945-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A DHODH 3409/4885KDM4E 4744/4885KMT2A 4401/4885

“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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