SCHEMBL3861571

SCHEMBL3861571

N#C[C@]1(c2ccccc2F)C[C@@H]2CC[C@H]1C2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.33
HSD11B1 P28845 1/20 0.33
P2RX7 Q99572 2/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
BACE1 P56817 2/20 0.30

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
SCHEMBL3861576 1.00 ALOX5AP (0.33) ALOX5APHSD11B1P2RX7PSEN1PSEN2
SCHEMBL3864329 1.00 ALOX5AP (0.33) ALOX5APHSD11B1P2RX7PSEN1PSEN2
SCHEMBL6556521 0.78 CHRM2 (0.40) ALOX5APP2RX7BACE1
SCHEMBL87607 0.73 ALOX5AP (0.38) ALOX5APHSD11B1P2RX7PSEN1PSEN2
SCHEMBL3859941 0.68 HSD11B1 (0.42) ALOX5APHSD11B1P2RX7
SCHEMBL1769351 0.65 HDAC4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30929543 0.65 HDAC4 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL625354 0.63 NPC1 (0.44) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL1020368 0.63 NPC1 (0.48) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL5485122 0.61 BDKRB1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
EP-1877377-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES Wyeth (US) 2008-01-16 EP disclosed
WO-2006118955-A2 PROCESS FOR PREPARING 3,3-DISUBSTITUTED OXINDOLES AND THIO-OXINDOLES WYETH (US) 2006-11-09 WO disclosed
US-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2006-11-02 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 (1 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-20060247441-A1 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles TPMT, TH, HTR3C ALOX5AP 692/4885HSD11B1 1580/4885P2RX7 2169/4885

“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.