SCHEMBL19002284

SCHEMBL19002284

CCC(=O)NCCc1ccnc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.53
MTNR1B P49286 4/20 0.53
LOX P28300 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
ACACB O00763 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
SCHEMBL18997636 0.86 LOX (0.47) MTNR1AMTNR1BLOXLOXL2
SCHEMBL19049394 0.86 LOX (0.51) MTNR1AMTNR1BLOXLOXL2
SCHEMBL6951705 0.86 LOX (0.51) MTNR1AMTNR1BLOXLOXL2
SCHEMBL19049441 0.86 MTNR1A (0.61) MTNR1AMTNR1BLOXLOXL2ACACB
SCHEMBL24827539 0.85 ALDH1A1 (0.47) MTNR1AMTNR1BLOXLOXL2
SCHEMBL21740829 0.83 KMT2A (0.45) MTNR1AMTNR1BLOXLOXL2
SCHEMBL18997700 0.82 LOX (0.48) MTNR1AMTNR1BLOXLOXL2
SCHEMBL24827596 0.82 LOX (0.48) MTNR1AMTNR1BLOXLOXL2ACACB
SCHEMBL19001318 0.81 MTNR1A (0.54) MTNR1AMTNR1BACACB
SCHEMBL19002285 0.79 ACACB (0.51) MTNR1AMTNR1BACACB

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 1599/4885LOX 574/4885

“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.