SCHEMBL3528335

SCHEMBL3528335

N#CCC1(c2ccc(Cl)c(F)c2)CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A2 P23975 1/20 0.41
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
APP P05067 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MMP2 P08253 2/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL3530638 0.91 SLC6A4 (0.43) SLC6A3JAK2JAK1SLC6A4SLC6A2
SCHEMBL30479381 0.84 JAK2 (0.46) JAK2JAK1TACR1
SCHEMBL3528223 0.84 JAK2 (0.46) JAK2JAK1TACR1
SCHEMBL21680273 0.83 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2AKR1C3AKR1C2
SCHEMBL16565154 0.83 OPRM1 (0.48) SLC6A3JAK2JAK1SLC6A4SLC6A2
SCHEMBL3528089 0.82 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2AKR1C3AKR1C2
SCHEMBL17886631 0.80 SLC6A3 (0.44) SLC6A3JAK2JAK1SLC6A4SLC6A2
SCHEMBL6153201 0.80 METAP2 (0.38) CYP3A4CYP2C19
SCHEMBL27640138 0.79 JAK2 (0.41) SLC6A3JAK2JAK1SLC6A4SLC6A2
SCHEMBL5381232 0.78 CCR1 (0.50) SLC6A3AKR1C3AKR1C2APPCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-13 US 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 SLC6A3 298/4885JAK2 3928/4885JAK1 4552/4885
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS SCN7A, SCN1A, SCN8A SLC6A3 298/4885JAK2 3928/4885JAK1 4552/4885
US-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 SLC6A3 1496/4885JAK2 2862/4885JAK1 2938/4885

“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.