SCHEMBL12437640

SCHEMBL12437640

O=C(c1ccc2c(CN3CCC(C4CCC4)CC3)c[nH]c2c1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.50
TACR1 P25103 1/20 0.48
TACR3 P29371 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46

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
SCHEMBL2220703 0.90 HRH3 (0.72) HRH3MEN1KMT2ALMNAGAA
SCHEMBL2216427 0.89 HRH3 (0.61) HRH3MEN1KMT2ALMNAGAA
SCHEMBL2218354 0.88 HRH3 (0.69) HRH3MEN1KMT2ALMNAGAA
SCHEMBL2214573 0.88 MEN1 (0.52) HRH3MEN1KMT2ALMNAGAA
SCHEMBL2218776 0.87 HRH3 (0.69) HRH3MEN1KMT2ALMNAGAA
SCHEMBL2217566 0.86 HRH3 (0.71) HRH3MEN1KMT2ALMNAGAA
SCHEMBL12437635 0.84 MEN1 (0.51) HRH3MEN1KMT2ALMNATACR1
SCHEMBL1064864 0.81 GAA (0.66) HRH3MEN1KMT2ALMNAGAA
SCHEMBL1083550 0.81 MEN1 (0.60) MEN1KMT2ACA12CA1CA2
SCHEMBL2335733 0.77 HRH3 (0.78) HRH3LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
US-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 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 (1 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-20110178062-A1 INDOLE AND BENZOTHIOPHENE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 HRH3 1/4885MEN1 2767/4885KMT2A 186/4885

“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.