SCHEMBL3188809

SCHEMBL3188809

COC(=O)C1CC(Oc2ccccc2F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
P2RX3 P56373 1/20 0.43
UCHL1 P09936 1/20 0.42
MCL1 Q07820 8/20 0.41
PTPN1 P18031 1/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
HTRA1 Q92743 1/20 0.38
PDE4B Q07343 1/20 0.38
HSD11B1 P28845 1/20 0.38
HSD11B2 P80365 1/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL24739556 1.00 NR1H2 (0.43) NR1H2NR1H3P2RX3UCHL1MCL1
SCHEMBL8339060 1.00 NR1H2 (0.43) NR1H2NR1H3P2RX3UCHL1MCL1
SCHEMBL13481242 1.00 NR1H2 (0.43) NR1H2NR1H3P2RX3UCHL1MCL1
SCHEMBL5152159 0.89 CCNT1 (0.44) NR1H2NR1H3P2RX3PTPN1CCNT1
SCHEMBL24739225 0.89 CCNT1 (0.44) NR1H2NR1H3P2RX3PTPN1CCNT1
SCHEMBL3264786 0.89 UCHL1 (0.43) UCHL1MCL1GRIN1GRIN2BHTRA1
SCHEMBL3264785 0.89 UCHL1 (0.43) UCHL1MCL1GRIN1GRIN2BHTRA1
SCHEMBL28719723 0.85 P2RX3 (0.41) NR1H2NR1H3P2RX3UCHL1MCL1
SCHEMBL27589062 0.85 P2RX3 (0.44) NR1H2NR1H3P2RX3UCHL1MCL1
SCHEMBL8262083 0.85 P2RX3 (0.44) NR1H2NR1H3P2RX3UCHL1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558246-B1 PROLINE DERIVATIVES HAVING AFFINITY FOR THE CALCIUM CHANNEL ALPHA-2-DELTA SUBUNIT PFIZER LTD (GB) 2010-05-19 EP disclosed
US-7659305-B2 4-carbo- or heterocyclic alkyl-, oxy-, amino-, and thio-substituted; e.g., 2S, 4S)-4-(3-Chloro-phenoxy)-pyrrolidine-2-carboxylic acid; controlling neurotransmitter release; uses include general treatment of pain, particularly neuropathic pain. PFIZER INC. (US) 2010-02-09 US disclosed
US-20040132801-A1 Therapeutic proline derivatives RAWSON DAVID JAMES (GB) 2004-07-08 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-20040132801-A1 Therapeutic proline derivatives PRRC2C, SLC6A7, FAAH NR1H2 2110/4885NR1H3 2108/4885P2RX3 823/4885

“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.