SCHEMBL15906809

SCHEMBL15906809

CC1CN(c2nc(C3CC3)c(Br)cc2C#N)CCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HRH4 Q9H3N8 2/20 0.36
CASP1 P29466 3/20 0.35
CASP7 P55210 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 3/20 0.34
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
KIT P10721 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
SCHEMBL14251550 1.00 TAAR1 (0.37) TAAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL14317457 1.00 TAAR1 (0.37) TAAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL14251040 0.87 PRKCQ (0.34) TAAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL14251042 0.87 PRKCQ (0.34) TAAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL14250767 0.86 CHRNB2 (0.40) TAAR1KDM4EMEN1KMT2AHRH4
SCHEMBL14250770 0.86 CHRNB2 (0.40) TAAR1KDM4EMEN1KMT2AHRH4
SCHEMBL20458541 0.86 TAAR1 (0.37) TAAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL15906804 0.84 TAAR1 (0.48) TAAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL14318172 0.82 TAAR1 (0.37) TAAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL14250405 0.82 TAAR1 (0.37) TAAR1KDM4EALDH1A1MEN1KMT2A

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 5 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-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 4861/4885KDM4E 3914/4885ALDH1A1 1041/4885
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, MMP8 TAAR1 4820/4885KDM4E 3923/4885ALDH1A1 1551/4885

“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.