SCHEMBL16874565

SCHEMBL16874565

CC(C)(C)OC(=O)N1CCC(c2ccc(OCc3ccccc3)cc2)C(F)(F)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.52
PRMT5 O14744 6/20 0.49
STS P08842 1/20 0.48
GPR119 Q8TDV5 4/20 0.46
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
RORC P51449 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL16874764 0.87 TP53 (0.46) TP53
SCHEMBL24880989 0.84 PRMT5 (0.43) YAP1PRMT5STSGPR119
SCHEMBL16874573 0.83 ALDH1A1 (0.55) STSGPR119
SCHEMBL16874571 0.83 ALDH1A1 (0.55) STSGPR119
SCHEMBL28103926 0.83 TP53 (0.43) TP53
SCHEMBL16611368 0.83 RORC (0.43) STSGPR119RORC
SCHEMBL22193619 0.82 PRMT5 (0.61) YAP1PRMT5STSGPR119JAK2
SCHEMBL16611357 0.82 CA12 (0.44) STSGPR119RORC
SCHEMBL16874738 0.80 YAP1 (0.54) YAP1PRMT5STSGPR119JAK2
SCHEMBL16886004 0.80 YAP1 (0.54) YAP1PRMT5STSGPR119JAK2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-29 US disclosed
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-29 US disclosed
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 US disclosed
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 US disclosed
US-20160081995-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2016-03-24 US disclosed
US-20160081995-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2016-03-24 US disclosed
US-9221796-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-9221796-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-9221796-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
WO-2015105772-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-16 WO disclosed
WO-2015105772-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-16 WO disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B YAP1 1548/4885PRMT5 3452/4885STS 3205/4885
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A YAP1 4707/4885PRMT5 2688/4885STS 1915/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A YAP1 4707/4885PRMT5 2688/4885STS 1915/4885
US-20160081995-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A YAP1 4707/4885PRMT5 2688/4885STS 1915/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A YAP1 4707/4885PRMT5 2688/4885STS 1915/4885

“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.