SCHEMBL3528089

SCHEMBL3528089

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.44
SLC6A4 P31645 4/20 0.41
SLC6A2 P23975 1/20 0.41
TACR2 P21452 8/20 0.38
TACR1 P25103 6/20 0.38
APP P05067 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AKR1C3 P42330 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
AKR1C2 P52895 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CCR1 P32246 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL6154363 0.90 SLC6A4 (0.44) SLC6A3SLC6A4SLC6A2TACR2TACR1
SCHEMBL21680273 0.84 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2TACR2TACR1
SCHEMBL30479357 0.83 CCR5 (0.45) SLC6A3SLC6A4SLC6A2TACR1
SCHEMBL3527380 0.83 CCR5 (0.45) SLC6A3SLC6A4SLC6A2TACR1
SCHEMBL3528335 0.82 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2TACR2TACR1
SCHEMBL5381232 0.79 CCR1 (0.50) SLC6A3APPCYP3A4CYP2C9CYP2C19
SCHEMBL3528321 0.79 FFAR4 (0.40)
SCHEMBL27640120 0.79 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2CCR1
SCHEMBL3527130 0.77 HSD11B1 (0.42) TACR1
SCHEMBL3529204 0.76 SLC6A3 (0.44) SLC6A3SLC6A4CYP3A4

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 298/4885SLC6A4 250/4885SLC6A2 176/4885
US-20200048240-A1 ACYL SULFONAMIDE NAV1.7 INHIBITORS SCN7A, SCN1A, SCN8A SLC6A3 298/4885SLC6A4 250/4885SLC6A2 176/4885
US-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 SLC6A3 1496/4885SLC6A4 1478/4885SLC6A2 931/4885

“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.