SCHEMBL2079458

SCHEMBL2079458

CCOC(=O)CC[C@@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SRC P12931 8/20 0.35
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL2079460 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3CYP2C19CYP1A2
SCHEMBL2079462 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM3CYP2C19CYP1A2
SCHEMBL6347427 0.89 CYP1A2 (0.42) CHRM2CHRM1CHRM3CYP2C19CYP1A2
SCHEMBL2076839 0.89 CYP1A2 (0.42) CHRM2CHRM1CHRM3CYP2C19CYP1A2
SCHEMBL24739424 0.89 CYP1A2 (0.42) CHRM2CHRM1CHRM3CYP2C19CYP1A2
SCHEMBL2077725 0.86 SMYD3 (0.39) CYP1A2ATMMEN1KMT2AALDH1A1
SCHEMBL2077729 0.86 SMYD3 (0.39) CYP1A2ATMMEN1KMT2AALDH1A1
SCHEMBL2077730 0.86 SMYD3 (0.39) CYP1A2ATMMEN1KMT2AALDH1A1
SCHEMBL2078658 0.85 ATM (0.34) ATMMEN1KMT2AALDH1A1KDM4E
SCHEMBL2078656 0.85 ATM (0.34) ATMMEN1KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906532-B2 Antiserotonine agents; gastrointestinal disorders; irritable bowel syndrome; central nervous system disorders; Alzheimer's disease; cognition activators; analgesics; cardiovascular disorders; antidiabetic agents; sleep disorders PFIZER INC. (US) 2011-03-15 US disclosed
EP-1910340-B1 INDAZOLECARBOXAMIDE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER (US) 2009-11-18 EP disclosed
US-20080269211-A1 Indazole Derivatives PFIZER INC 2008-10-30 US disclosed
EP-1910340-A1 INDAZOLECARBOXAMIDE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS Pfizer, Inc. (US) 2008-04-16 EP disclosed
WO-2007010390-A1 INDAZOLECARBOXAMIDE DERIVATIVES AS 5HT4 RECEPTOR AGONISTS PFIZER JAPAN INC. (JP) 2007-01-25 WO 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-20080269211-A1 Indazole Derivatives GPR119, HRH4, HTR4 CHRM2 14/4885CHRM1 8/4885CHRM3 17/4885

“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.