SCHEMBL288139

SCHEMBL288139

CCC1(OC(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 1/20 0.54
▸ CTNNB1 P35222 1/20 0.54
▸ HTR2A P28223 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ MGLL Q99685 2/20 0.48
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40

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
SCHEMBL29716297 0.95 BCL9 (0.51) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL287764 0.82 GAA (0.54) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL288509 0.80 GAA (0.51) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL3373334 0.80 GAA (0.51) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL21097186 0.80 BCL9 (0.52) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL278663 0.79 BCL9 (0.62) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL14974562 0.79 GAA (0.50) BCL9CTNNB1HTR2AGAAMGLL
Alcohol SCHEMBL20595561 0.79 BCL9 (0.66) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL21057984 0.77 BCL9 (0.50) BCL9CTNNB1HTR2AGAAMGLL
SCHEMBL21097178 0.77 HTR2A (0.55) BCL9CTNNB1HTR2AGAAMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427450-A1 GPR 119 MODULATORS Pfizer Inc. (US) 2012-03-14 — — EP disclosed
EP-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 — — EP disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 — — US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 — — US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 — — US disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 — — WO disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 — — WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 — — WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 — — WO disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 — — US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 — — US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 — — 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 (2 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-20120052130-A1 GPR 119 MODULATORS GPR119, GPR39, GPR65 BCL9 1057/4885CTNNB1 1882/4885HTR2A 561/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 BCL9 1831/4885CTNNB1 1787/4885HTR2A 433/4885

“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.

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