SCHEMBL21169574

SCHEMBL21169574

CC(C)C(=O)NCCc1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
SLC1A2 P43004 1/20 0.53
KCNH2 Q12809 1/20 0.53
KMT2A Q03164 3/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 2/20 0.51
MAPT P10636 1/20 0.51
ABCB1 P08183 1/20 0.47
HPGD P15428 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
ACACB O00763 2/20 0.47
EPHX2 P34913 1/20 0.46
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL22060067 0.84 ERCC1 (0.55) SLC1A2KMT2AEPHX2MEN1LMNA
SCHEMBL24897168 0.82 KDM4E (0.64) CNR1POLBMAPTABCB1HPGD
SCHEMBL23467854 0.82 POLB (0.55) CNR1SLC1A2KCNH2KMT2APOLB
SCHEMBL2001284 0.80 CNR1 (0.58) CNR1SLC1A2KCNH2POLBMAPT
SCHEMBL7897169 0.80 KMT2A (0.58) CNR1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL12164125 0.80 KDM4E (0.66) KMT2ACYP2D6CYP2C9CYP2C19MAPT
SCHEMBL25057022 0.80 KMT2A (0.43) CNR1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL24943133 0.79 CNR1 (0.62) CNR1SLC1A2KCNH2CYP2D6CYP2C19
SCHEMBL4775980 0.79 ACACB (0.63) CNR1POLBMAPTABCB1HPGD
SCHEMBL14520644 0.79 KMT2A (0.57) KMT2ACYP2D6CYP2C9CYP2C19POLB

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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 CNR1 2586/4885SLC1A2 4321/4885KCNH2 4843/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CNR1 2768/4885SLC1A2 4320/4885KCNH2 4866/4885

“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.