SCHEMBL17586282

SCHEMBL17586282

CC(C)(C)C12CC(NC(=O)C(F)(F)F)(C1)C2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
NSD2 O96028 1/20 0.30
IDO1 P14902 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17586289 0.86 HPGDS (0.35) CA2NSD2
SCHEMBL17586263 0.83 DPP8 (0.32)
SCHEMBL16039108 0.77 CA2 (0.39) CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL16118625 0.77
SCHEMBL17586320 0.72 ALDH1A1 (0.39) CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL21217384 0.70
SCHEMBL17586281 0.68 EPHX2 (0.46) CA2ALDH1A1POLBSMN1; SMN2
SCHEMBL21064462 0.68 CACNA1H (0.35) SMN1; SMN2
SCHEMBL21064405 0.67 ALDH1A1 (0.33) IDO1ALDH1A1
Trifluoroacetic Acid SCHEMBL17435796 0.67 SLC1A2 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3193855-B1 BICYCLIC COMPOUNDS RECURIUM IP HOLDINGS LLC (US) 2021-05-19 EP disclosed
US-10975035-B2 Bicyclic compounds RECURIUM IP HOLDINGS, LLC (US) 2021-04-13 US disclosed
US-20190233377-A1 BICYCLIC COMPOUNDS Zeno Royalties & Milestones, LLC 2019-08-01 US disclosed
US-10308609-B2 Bicyclic compounds Zeno Royalties & Milestones, LLC (US) 2019-06-04 US disclosed
US-20180042871-A1 BICYCLIC ANALGESIC COMPOUNDS KTHERA, LLC 2018-02-15 US disclosed
US-20160075654-A1 BICYCLIC COMPOUNDS RECURIUM IP HOLDINGS, LLC 2016-03-17 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 (5 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-20190233377-A1 BICYCLIC COMPOUNDS OPRK1, OPRM1, OPRL1 CA2 1040/4885NSD2 2947/4885IDO1 1673/4885
US-20160075654-A1 BICYCLIC COMPOUNDS OPRK1, OPRM1, OPRL1 CA2 1040/4885NSD2 2947/4885IDO1 1673/4885
US-10975035-B2 Bicyclic compounds OPRK1, OPRM1, OPRL1 CA2 1040/4885NSD2 2947/4885IDO1 1673/4885
US-10308609-B2 Bicyclic compounds OPRK1, OPRM1, OPRL1 CA2 1040/4885NSD2 2947/4885IDO1 1673/4885
US-20180042871-A1 BICYCLIC ANALGESIC COMPOUNDS OPRK1, OPRL1, OPRM1 CA2 795/4885NSD2 2140/4885IDO1 1310/4885

“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.