SCHEMBL3859941

SCHEMBL3859941

NC(=O)C1(c2ccccc2F)CC2CCC1C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.42
OPRL1 P41146 2/20 0.39
KMT2A Q03164 1/20 0.38
ALOX5AP P20292 2/20 0.38
EPHX2 P34913 2/20 0.36
HDAC4 P56524 2/20 0.36
KCNN4 O15554 1/20 0.36
P2RX7 Q99572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL87607 0.74 ALOX5AP (0.38) HSD11B1OPRL1ALOX5APEPHX2HDAC4
SCHEMBL3645162 0.71 ALOX5AP (0.48) HSD11B1ALOX5APSIGMAR1
SCHEMBL2594168 0.69 KMT2A (0.47) OPRL1KMT2AHDAC4KCNN4
SCHEMBL518232 0.69 HDAC4 (0.43) OPRL1KMT2AHDAC4KCNN4ALDH1A1
SCHEMBL15541757 0.68 HDAC4 (0.47) HSD11B1OPRL1KMT2AHDAC4KCNN4
SCHEMBL3861576 0.68 ALOX5AP (0.33) HSD11B1ALOX5APP2RX7
SCHEMBL3864329 0.68 ALOX5AP (0.33) HSD11B1ALOX5APP2RX7
SCHEMBL3861571 0.68 ALOX5AP (0.33) HSD11B1ALOX5APP2RX7
SCHEMBL4744830 0.66 HDAC4 (0.57) OPRL1HDAC4ALDH1A1
SCHEMBL43075 0.65 HDAC4 (0.65) OPRL1HDAC4P2RX7ALDH1A1

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 6 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
US-7595338-B2 Process for preparing 3,3-disubstituted oxindoles and thio-oxindoles WYETH (US) 2009-09-29 US disclosed
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 HSD11B1 1580/4885OPRL1 522/4885KMT2A 3272/4885

“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.