SCHEMBL3528223

SCHEMBL3528223

CC(C)(C)OC(=O)N1CCC(CC#N)(c2ccc(Cl)c(F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.46
JAK1 P23458 16/20 0.46
TACR1 P25103 1/20 0.43
CCR5 P51681 3/20 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
SCHEMBL30479381 1.00 JAK2 (0.46) JAK2JAK1TACR1CCR5
SCHEMBL3530380 0.92 JAK2 (0.47) JAK2JAK1TACR1CCR5
SCHEMBL14272847 0.89 JAK2 (0.45) JAK2JAK1CCR5
SCHEMBL20115649 0.85 CCR5 (0.47) TACR1CCR5
SCHEMBL16553629 0.85 MEN1 (0.49) JAK2JAK1TACR1
SCHEMBL30479357 0.84 CCR5 (0.45) TACR1CCR5
SCHEMBL3527380 0.84 CCR5 (0.45) TACR1CCR5
SCHEMBL191571 0.84 OPRM1 (0.46) JAK2JAK1TACR1
SCHEMBL3528335 0.84 SLC6A3 (0.43) JAK2JAK1TACR1
SCHEMBL27640138 0.84 JAK2 (0.41) JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088093-B Acyl sulfonamide nav1.7 inhibitors 百时美施贵宝公司 2023-06-13 CN disclosed
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
EP-3532462-B1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 US disclosed
US-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 US disclosed
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-13 US disclosed
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-13 US disclosed
WO-2018081384-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-03 WO disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 WO 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 (3 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-10836758-B2 Acyl sulfonamide NaV1.7 inhibitors SCN7A, SCN1A, SCN8A JAK2 3928/4885JAK1 4552/4885TACR1 1624/4885
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS SCN7A, SCN1A, SCN8A JAK2 3928/4885JAK1 4552/4885TACR1 1624/4885
US-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 JAK2 2862/4885JAK1 2938/4885TACR1 140/4885

“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.