SCHEMBL1848398

SCHEMBL1848398

Nc1cc(O)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 2/20 0.60
▸ ACHE P22303 2/20 0.58
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ GLA P06280 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ CASP1 P29466 2/20 0.50
▸ CASP7 P55210 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ ADRA2A P08913 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ NQO2 P16083 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ DRD1 P21728 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ OPRM1 P35372 1/20 0.50

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
SCHEMBL29690490 0.78 NCF1 (0.64) NCF1ACHEALDH1A1HPGDKDM4E
SCHEMBL29376440 0.78 MYC (0.52) ACHEALDH1A1HPGDKDM4EGLA
SCHEMBL64767 0.78 MYC (0.52) ACHEALDH1A1HPGDKDM4EGLA
SCHEMBL323374 0.78 NCF1 (0.64) NCF1ACHEALDH1A1HPGDKDM4E
SCHEMBL11811408 0.77 MYC (0.50) ACHEALDH1A1HPGDKDM4EGLA
SCHEMBL11811414 0.77 MYC (0.50) ACHEALDH1A1HPGDKDM4EGLA
SCHEMBL18493817 0.75 ALDH1A1 (0.50) NCF1ACHEALDH1A1HPGDKDM4E
SCHEMBL25330955 0.75 NQO2 (0.43) ACHEALDH1A1HPGDKDM4EGLA
SCHEMBL6535469 0.75 MAOA (0.50) ACHEALDH1A1HPGDKDM4EGLA
SCHEMBL377555 0.75 CYP1A2 (0.64) ACHEALDH1A1HPGDKDM4ESMN1; 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153865-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2006-12-26 — — US claimed
US-7060834-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2006-06-13 — — US claimed
US-20050131020-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2005-06-16 — — US claimed
EP-1430030-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-05-18 — — EP claimed
US-20040266819-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-12-30 — — US claimed
EP-1430030-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2004-06-23 — — EP claimed
EP-1430029-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2004-06-23 — — EP claimed
WO-2003018561-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2003-03-06 — — WO claimed
WO-2003018560-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2003-03-06 — — WO claimed
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2011-06-16 — — US disclosed
EP-2323661-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS Universiteit Leiden (NL) 2011-05-25 — — EP disclosed
WO-2010020981-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS UNIVERSITEIT LEIDEN (NL) 2010-02-25 — — WO disclosed
US-7153865-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2006-12-26 — — US disclosed
US-7060834-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2006-06-13 — — US disclosed
EP-1430030-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-05-18 — — EP disclosed
US-20040266819-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-12-30 — — US disclosed
EP-1430030-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2004-06-23 — — EP disclosed
EP-1430029-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2004-06-23 — — EP disclosed
WO-2003018560-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2003-03-06 — — WO disclosed
WO-2003018561-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2003-03-06 — — 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-20040266819-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1G NCF1 396/4885ACHE 208/4885ALDH1A1 3081/4885
US-20110144156-A1 A3 ADENOSINE RECEPTOR ALLOSTERIC MODULATORS ADORA3, ADORA2A, ADORA1 NCF1 3051/4885ACHE 433/4885ALDH1A1 2719/4885
US-20050131020-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A NCF1 511/4885ACHE 152/4885ALDH1A1 4000/4885

“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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