SCHEMBL6893871

SCHEMBL6893871

Clc1ccc2c(c1)nc1n2C2CCC1CNC2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.44
CYP11B1 P15538 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
MCHR1 Q99705 4/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
OPRL1 P41146 2/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HTR3A P46098 1/20 0.36
AVPR1A P37288 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KCNH2 Q12809 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
BACE1 P56817 1/20 0.34
MAT2A P31153 1/20 0.34

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
SCHEMBL10298798 0.81 CYP11B2 (0.49) CYP11B2CYP11B1MCHR1HRH3AVPR1A
SCHEMBL16128168 0.76 DRD2 (0.44) CYP11B2MCHR1OPRM1OPRD1OPRK1
SCHEMBL6895806 0.75 CYP11B2 (0.42) CYP11B2CYP11B1MCHR1HRH3KCNH2
SCHEMBL16512912 0.74 CCR3 (0.48) CYP11B2MCHR1NPC1RAB9AKCNH2
SCHEMBL16128232 0.74 OPRM1 (0.43) CYP11B2MCHR1OPRM1OPRD1OPRK1
SCHEMBL17512024 0.74 OPRM1 (0.43) CYP11B2MCHR1OPRM1OPRD1OPRK1
SCHEMBL18547733 0.74 CYP11B1 (0.39) CYP11B2CYP11B1
Hydrochloric Acid SCHEMBL16486357 0.73 CCR3 (0.47) CYP11B2MCHR1NPC1RAB9AKCNH2
SCHEMBL10012513 0.73 HTR3E (0.45) CYP11B2MCHR1OPRM1HTR3A
SCHEMBL22588043 0.69 CCR3 (0.45) CYP11B2MCHR1HTR3ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-05 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
US-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. 2011-03-17 US disclosed
WO-2011031816-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 WO disclosed
WO-2011031818-A2 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2011-03-17 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 (2 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-20110065694-A1 Histamine H3 Inverse Agonists and Antagonists and Methods of Use Thereof HRH3, HRH4, HRH2 CYP11B2 2925/4885CYP11B1 3601/4885CHRNB2 22/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CYP11B2 2925/4885CYP11B1 3601/4885CHRNB2 22/4885

“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.