SCHEMBL19002541

SCHEMBL19002541

CCC(=O)NCCc1cccc(C#N)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.62
MTNR1B P49286 2/20 0.62
CNR1 P21554 1/20 0.58
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.51
MEP1A Q16819 1/20 0.49
MEP1B Q16820 1/20 0.49
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
ACACB O00763 1/20 0.48
ABCB1 P08183 1/20 0.47
HPGD P15428 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL19049391 0.85 ERCC1 (0.64) MEP1AMEP1BERCC1ERCC4HPGD
SCHEMBL5036231 0.85 CNR1 (0.61) MTNR1AMTNR1BCNR1GAARAB9A
SCHEMBL12720885 0.85 SPR (0.67) MTNR1AMTNR1BCNR1GAARAB9A
SCHEMBL19002549 0.85 CNR1 (0.55) MTNR1AMTNR1BCNR1GAARAB9A
SCHEMBL2007111 0.84 CNR1 (0.62) MTNR1AMTNR1BCNR1GAARAB9A
SCHEMBL19049570 0.82 CNR1 (0.61) CNR1GAARAB9AMEP1AMEP1B
SCHEMBL4775980 0.82 ACACB (0.63) MTNR1AMTNR1BCNR1RAB9AACACB
SCHEMBL19002632 0.82 CNR1 (0.57) CNR1GAARAB9AMEP1AMEP1B
SCHEMBL19002540 0.79 SPR (0.71) MTNR1AMTNR1B
SCHEMBL26079448 0.79 MTNR1A (0.68) MTNR1AMTNR1BCNR1RAB9AHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 EP disclosed
WO-2017112777-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2017-06-29 WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 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 (1 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 MTNR1A 1704/4885MTNR1B 1599/4885CNR1 2768/4885

“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.