SCHEMBL2220082

SCHEMBL2220082

CC1(C)OB(c2ccc3[nH]cc(C#N)c3c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
SLC6A4 P31645 11/20 0.40
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
HASPIN Q8TF76 1/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 3/20 0.38
ESR2 Q92731 1/20 0.37
CYP2D6 P10635 1/20 0.37
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
PFKFB2 O60825 1/20 0.35
PFKFB1 P16118 1/20 0.35
PFKFB3 Q16875 1/20 0.35
XDH P47989 1/20 0.35

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
SCHEMBL31730871 0.89 IMPDH2 (0.44) IMPDH2IMPDH1SLC6A4CCNT1CDK9
SCHEMBL1337551 0.80 ATM (0.41) LPLLIPG
SCHEMBL22438423 0.76 LPL (0.38) ESR2LPLLIPG
SCHEMBL1337645 0.76 LPL (0.42) LPLLIPG
SCHEMBL15882592 0.76 LRRK2 (0.41) CCNT1CDK9HASPIN
SCHEMBL12327209 0.76 LIPG (0.44) ESR2LPLLIPG
SCHEMBL759272 0.75 ALDH1A1 (0.50) IMPDH2CCNT1CDK9HASPINLPL
SCHEMBL1337282 0.74 LPL (0.50) LPLLIPG
SCHEMBL15288091 0.74 PRMT5 (0.39) ESR2LPLLIPG
SCHEMBL15617180 0.74 LIPG (0.53) IMPDH2HASPINLPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260070902-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-03-12 US disclosed
US-20260034125-A1 N-PHENYL-1-(PHENYLSULFONYL)PIPERIDIN-4-AMINE DERIVATIVES AS CCR6 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-02-05 US disclosed
EP-4661964-A1 COMPOUNDS AS CCR6 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-12-17 EP disclosed
US-20250353859-A1 COMPOUNDS AS CCR6 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2025-11-20 US disclosed
EP-4630402-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS F. Hoffmann-La Roche AG (CH) 2025-10-15 EP disclosed
WO-2024165453-A1 COMPOUNDS AS CCR6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-08-15 WO disclosed
WO-2024121013-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-06-13 WO disclosed
US-20110178070-A1 PI3K/mTOR INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-21 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 (4 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-20110178070-A1 PI3K/mTOR INHIBITORS MTOR, RICTOR, PIK3CA IMPDH2 1291/4885IMPDH1 1084/4885SLC6A4 3878/4885
US-20260070902-A1 SULFONYL DERIVATIVES AS CCR6 INHIBITORS CCR6, CCR1, CCR4 IMPDH2 4720/4885IMPDH1 4203/4885SLC6A4 1258/4885
US-20260034125-A1 N-PHENYL-1-(PHENYLSULFONYL)PIPERIDIN-4-AMINE DERIVATIVES AS CCR6 INHIBITORS CCR6, CCR1, CCR4 IMPDH2 4152/4885IMPDH1 2962/4885SLC6A4 2065/4885
US-20250353859-A1 COMPOUNDS AS CCR6 INHIBITORS CCR6, CCR4, CCR1 IMPDH2 4422/4885IMPDH1 3635/4885SLC6A4 2303/4885

“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.