SCHEMBL15906804

SCHEMBL15906804

N#Cc1cc(Br)c(C2CC2)nc1N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 6/20 0.40
KCNH2 Q12809 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
KDM4E B2RXH2 5/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PDE10A Q9Y233 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL14251550 0.84 TAAR1 (0.37) TAAR1ALDH1A1HRH4KDM4EHPGD
SCHEMBL14317457 0.84 TAAR1 (0.37) TAAR1ALDH1A1HRH4KDM4EHPGD
SCHEMBL15906809 0.84 TAAR1 (0.37) TAAR1ALDH1A1HRH4KDM4EHPGD
SCHEMBL14250767 0.82 CHRNB2 (0.40) TAAR1HRH4KDM4EMEN1KMT2A
SCHEMBL14250770 0.82 CHRNB2 (0.40) TAAR1HRH4KDM4EMEN1KMT2A
SCHEMBL14251040 0.81 PRKCQ (0.34) TAAR1ALDH1A1KCNH2KDM4EMEN1
SCHEMBL14251042 0.81 PRKCQ (0.34) TAAR1ALDH1A1KCNH2KDM4EMEN1
SCHEMBL15906802 0.77 TAAR1 (0.52) TAAR1ALDH1A1KCNH2KDM4EHPGD
SCHEMBL20458510 0.75 IDH1 (0.40) ALDH1A1HRH4HRH3KDM4EHPGD
SCHEMBL20458565 0.75 CYP1A2 (0.44) TAAR1ALDH1A1KDM4EHPGDMEN1

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
EP-2721019-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2018-08-08 EP disclosed
US-9856279-B2 Therapeutically active compositions and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-01-02 US disclosed
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2016-08-11 US disclosed
US-20140213580-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-07-31 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-20140213580-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE RNASE1, TP53, MCL1 TAAR1 4861/4885ALDH1A1 1041/4885KCNH2 4045/4885
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, MMP8 TAAR1 4820/4885ALDH1A1 1551/4885KCNH2 4796/4885

“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.