SCHEMBL14944319

SCHEMBL14944319

CC(O)C(=O)NC1(C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.48
CTSK P43235 6/20 0.43
CTSS P25774 5/20 0.43
CTSB P07858 2/20 0.43
CTSC P53634 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL13401138 0.86 CTSL (0.49) CTSLCTSKCTSSCTSBCTSC
SCHEMBL21413355 0.78 RXFP1 (0.45) CTSLCTSKCTSSCTSBCTSC
SCHEMBL2155600 0.77 CTSL (0.46) CTSLCTSKCTSSCTSBCTSC
SCHEMBL8218554 0.75 CTSL (0.54) CTSLCTSKCTSSCTSBCTSC
SCHEMBL4675931 0.75 CTSL (0.54) CTSLCTSKCTSSCTSBCTSC
SCHEMBL24848504 0.74 CTSL (0.43) CTSLCTSKCTSSCTSBCTSC
SCHEMBL18910071 0.74 CTSC (0.53) CTSLCTSKCTSSCTSBCTSC
Hydrochloric Acid SCHEMBL23673462 0.74 CTSL (0.53) CTSLCTSKCTSSCTSBCTSC
SCHEMBL23694015 0.74 CTSL (0.64) CTSLCTSKCTSSCTSB
Hydrochloric Acid SCHEMBL23673461 0.74 CTSL (0.53) CTSLCTSKCTSSCTSBCTSC

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-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
EP-2597089-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-29 EP disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R CTSL 4605/4885CTSK 3601/4885CTSS 3353/4885

“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.