SCHEMBL4023007

SCHEMBL4023007

Oc1cc(-c2cccc(F)c2)nc2ccc(Br)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.48
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
PRNP P04156 1/20 0.43
PPARG P37231 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
DHODH Q02127 2/20 0.42
PTGFR P43088 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
AURKA O14965 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41

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
SCHEMBL3497221 0.85 RXFP1 (0.62) RXFP1ESR1ESR2KMT2ANPSR1
SCHEMBL4025223 0.83 NT5E (0.54) RXFP1ESR1ESR2KMT2ANPSR1
SCHEMBL4028750 0.81 ABCG2 (0.48) RXFP1KMT2ANPSR1PRNPPTGFR
SCHEMBL15998647 0.80 KDM4E (0.54) KMT2ANPSR1KDM4EHPGDGAA
SCHEMBL4025078 0.80 RXFP1 (0.42) RXFP1KMT2ANPSR1PRNPPPARG
SCHEMBL3625999 0.79 DHODH (0.62) ESR1ESR2KMT2ADHODHKDM4E
SCHEMBL4815996 0.78 ELANE (0.57) KMT2AABCG2ALDH1A1MAPT
SCHEMBL6530375 0.76 ACP1 (0.49) RXFP1KMT2ANPSR1PRNPPTGFR
SCHEMBL26999154 0.75 RXFP1 (0.54) RXFP1ESR1ESR2KMT2ADHODH
SCHEMBL18296605 0.75 PDGFRB (0.49) KMT2AKDM4EHPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339690-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
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
US-6906193-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2005-06-14 US disclosed
US-6841680-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2005-01-11 US disclosed
US-20040077644-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-04-22 US disclosed
US-20040053964-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-03-18 US disclosed
US-20040053965-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-03-18 US disclosed
EP-1339690-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
EP-1339688-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
EP-1339689-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
WO-2002036568-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 WO disclosed
WO-2002036569-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 (4 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-20040053964-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A RXFP1 224/4885ESR1 2398/4885ESR2 789/4885
US-20040077644-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A RXFP1 285/4885ESR1 2201/4885ESR2 618/4885
US-20040053965-A1 N-type calcium channel antagonists for the treatment of pain CACNA1B, CACNA1E, CACNA1A RXFP1 428/4885ESR1 3276/4885ESR2 1140/4885
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G RXFP1 336/4885ESR1 1125/4885ESR2 685/4885

“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.