SCHEMBL15906807

SCHEMBL15906807

CC(C)c1nc(N2CCNCC2)c(C#N)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
CYP1A2 P05177 4/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 3/20 0.46
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
HTR5A P47898 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL15900544 0.86 PRKCQ (0.37) TAAR1CYP1A2LMNAKMT2AATM
SCHEMBL14250628 0.86 PRKCQ (0.37) TAAR1CYP1A2LMNAKMT2AATM
SCHEMBL7291236 0.84 CYP1A2 (0.54) TAAR1CYP1A2LMNACYP3A4TP53
Hydrochloric Acid SCHEMBL7296121 0.83 CYP1A2 (0.53) TAAR1CYP1A2LMNACYP3A4TP53
SCHEMBL15900545 0.80 IDH1 (0.59) LMNATP53KMT2AKDM4EHPGD
SCHEMBL15906802 0.80 TAAR1 (0.52) TAAR1CYP1A2LMNACYP3A4TP53
SCHEMBL15900722 0.77 KMT2A (0.58) LMNATP53KMT2AKDM4EHPGD
SCHEMBL15906808 0.77 LMNA (0.46) CYP1A2LMNACYP3A4TP53CYP2D6
Hydrochloric Acid SCHEMBL29013581 0.77 KMT2A (0.50) TAAR1CYP1A2LMNACYP3A4TP53
SCHEMBL20458504 0.76 CSNK1E (0.38) CNR1CNR2

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 4861/4885CYP1A2 2792/4885LMNA 1157/4885
US-20160229876-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE MCL1, TP53, MMP8 TAAR1 4820/4885CYP1A2 4544/4885LMNA 945/4885

“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.