SCHEMBL10012435

SCHEMBL10012435

FB(F)c1ccc2c(c1)nc1n2CC2CCC(C1)N2C1CCC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
DPP4 P27487 8/20 0.32
DPP7 Q9UHL4 4/20 0.32
CYP2D6 P10635 3/20 0.32
KCNH2 Q12809 2/20 0.32
DPP9 Q86TI2 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GFER P55789 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6896127 0.88 ALDH1A1 (0.33) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL10298614 0.81 PRKACA (0.42) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6895409 0.81 CYP11B2 (0.38) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL6896494 0.80 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL6896561 0.79 CYP11B2 (0.42) ALDH1A1KCNH2KDM4E
SCHEMBL10298604 0.78 USP30 (0.35) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL10298618 0.78 USP30 (0.35) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL10298602 0.78 USP30 (0.35) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL10298619 0.77 CYP11B2 (0.35) ALDH1A1MAPTDPP4DPP7CYP2D6
SCHEMBL10298610 0.75 KDM4E (0.34) MEN1KMT2AALDH1A1MAPTNPC1

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-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

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 MEN1 1399/4885KMT2A 512/4885ALDH1A1 2544/4885
US-20120172350-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 MEN1 1399/4885KMT2A 512/4885ALDH1A1 2544/4885

“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.