SCHEMBL418797

SCHEMBL418797

CN1CCC(N2CCc3nc4ccc(Cl)cc4n3CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
HRH4 Q9H3N8 10/20 0.38
HTR3A P46098 5/20 0.38
ACVR1 Q04771 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM2 Q14416 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
DRD4 P21917 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
SCHEMBL7888589 0.91 HRH3 (0.43) HRH3HTR3AACVR1KDM4ENPC1
SCHEMBL421611 0.89 HRH3 (0.45) HRH3HRH4HTR3AKDM4ENPC1
SCHEMBL10176659 0.80 ALDH1A1 (0.42) HTR3AKDM4ENPC1ALDH1A1MAPT
SCHEMBL422628 0.79 MAP4K1 (0.37) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL417697 0.79 IRAK4 (0.41) HRH3HRH4ACVR1GRM2
SCHEMBL7886302 0.79 MAPT (0.48) HRH3HTR3AKDM4ENPC1ALDH1A1
SCHEMBL422484 0.78 KDM4E (0.42) HRH3HTR3AKDM4ENPC1ALDH1A1
SCHEMBL419627 0.78 CHRNA7 (0.40) F10
SCHEMBL10176614 0.77 SMN1; SMN2 (0.43) HTR3AKDM4ENPC1ALDH1A1MAPT
SCHEMBL422446 0.76 MAPT (0.52) HRH3KDM4ENPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 US 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885HRH4 2/4885HTR3A 49/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH3 1/4885HRH4 2/4885HTR3A 49/4885

“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.