SCHEMBL418330

SCHEMBL418330

O=c1[nH]c2ccccc2n1-c1ccc2nc3n(c2c1)CCN(C1CCC1)CC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM3 P20309 1/20 0.44
OPRL1 P41146 5/20 0.39
OPRM1 P35372 5/20 0.39
OPRK1 P41145 5/20 0.39
OPRD1 P41143 4/20 0.39
AURKA O14965 3/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
GABRP O00591 4/20 0.37
GABRD O14764 4/20 0.37
GABRA1 P14867 4/20 0.37
GABRB1 P18505 4/20 0.37
GABRG2 P18507 4/20 0.37
GABRB3 P28472 4/20 0.37
GABRA5 P31644 4/20 0.37
GABRA3 P34903 4/20 0.37
GABRA2 P47869 4/20 0.37

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
SCHEMBL7881622 0.93 CHRM2 (0.45) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL10177588 0.80 MAPT (0.39) CHRM1CHRM2CHRM4CHRM3OPRL1
SCHEMBL418331 0.80 AURKA (0.38) AURKALMNAMAPTGABRPGABRD
SCHEMBL421387 0.79 ALDH1A1 (0.40) MAPT
SCHEMBL421170 0.78 ALDH1A1 (0.42) MAPT
SCHEMBL418406 0.77 MAPK8 (0.37) OPRM1OPRK1OPRD1MAPTOGFRL1
SCHEMBL418959 0.77 FGFR1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL421939 0.77 OPRM1 (0.41) OPRM1OPRK1OPRD1MAPTOGFRL1
SCHEMBL422382 0.77 HRH3 (0.41) OPRM1OPRK1OPRD1MAPTOGFRL1
SCHEMBL421302 0.76 KDM4E (0.43) OPRM1OPRK1OPRD1MAPTOGFRL1

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 CHRM1 29/4885CHRM2 15/4885CHRM4 31/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 CHRM1 29/4885CHRM2 15/4885CHRM4 31/4885

“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.