SCHEMBL21064421

SCHEMBL21064421

CC(=O)NCC12CC(C(F)(F)F)(C1)C2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
PDK2 Q15119 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17582309 0.82 ALDH1A1 (0.42) ALDH1A1NPSR1KDM4EMAPK1HIF1A
SCHEMBL17586253 0.75 ALDH1A1 (0.46) ALDH1A1NPSR1KDM4EMAPK1HIF1A
SCHEMBL17586255 0.74 ALDH1A1 (0.45) ALDH1A1NPSR1KDM4EMAPK1HIF1A
SCHEMBL21452948 0.72 ALDH1A1 (0.44) ALDH1A1NPSR1KDM4EMAPK1HIF1A
SCHEMBL13537143 0.72 ALDH1A1 (0.44) ALDH1A1NPSR1KDM4EMAPK1HIF1A
SCHEMBL23992189 0.72 ALDH1A1 (0.41) ALDH1A1NPSR1KDM4EMAPK1HIF1A
SCHEMBL17586254 0.71 ALDH1A1 (0.42) ALDH1A1NPSR1KDM4EMAPK1HIF1A
SCHEMBL21064405 0.69 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL21064418 0.68 PDK2 (0.31) PDK2
SCHEMBL17582443 0.68 EPHX2 (0.32)

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
US-11242327-B2 Analgesic compounds RECURIUM IP HOLDINGS, LLC (US) 2022-02-08 US disclosed
US-10975035-B2 Bicyclic compounds RECURIUM IP HOLDINGS, LLC (US) 2021-04-13 US disclosed
US-20200270221-A1 ANALGESIC COMPOUNDS KTHERA, LLC 2020-08-27 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

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-20200270221-A1 ANALGESIC COMPOUNDS INA, IK, ACHE ALDH1A1 144/4885NPSR1 181/4885KDM4E 3137/4885
US-11242327-B2 Analgesic compounds INA, IK, ACHE ALDH1A1 144/4885NPSR1 181/4885KDM4E 3137/4885
US-20190233377-A1 BICYCLIC COMPOUNDS OPRK1, OPRM1, OPRL1 ALDH1A1 289/4885NPSR1 62/4885KDM4E 3294/4885
US-10975035-B2 Bicyclic compounds OPRK1, OPRM1, OPRL1 ALDH1A1 289/4885NPSR1 62/4885KDM4E 3294/4885
US-10308609-B2 Bicyclic compounds OPRK1, OPRM1, OPRL1 ALDH1A1 289/4885NPSR1 62/4885KDM4E 3294/4885

“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.