SCHEMBL2770101

SCHEMBL2770101

COC(=O)/C=C/c1ccc(F)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
TYR P14679 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 2/20 0.44
FDPS P14324 1/20 0.42
TTR P02766 1/20 0.41
APP P05067 1/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL2770103 1.00 CA12 (0.45) CA12CA1CA2TYRCA7
SCHEMBL1969307 0.83 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL30693169 0.83 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL19079040 0.81 CA12 (0.59) CA12CA1CA2TYRCA7
SCHEMBL20198841 0.81 CA12 (0.46) CA12CA1CA2TYRCA7
SCHEMBL3310811 0.80 NFE2L2 (0.47) CA12CA1CA2TYRCA7
SCHEMBL15397508 0.79 KDM4E (0.46) CA12CA1CA2TYRCA7
SCHEMBL15397509 0.79 KDM4E (0.46) CA12CA1CA2TYRCA7
SCHEMBL15894494 0.79 MAPK1 (0.56) CA12CA1CA2TYRCA7
SCHEMBL1970995 0.78 HTR2A (0.33) SMN1; SMN2NPC1LMNARAB9AMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293900-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP (US) 2012-10-23 US disclosed
US-8293900-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP (US) 2012-10-23 US disclosed
EP-1910357-B1 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LTD (GB) 2010-04-14 EP disclosed
US-20090170863-A1 Acylated Spiropiperidine Derivatives as Melanocortin-4 Receptor Modulators MERCK & CO., INC. (US) 2009-07-02 US disclosed
US-20090170863-A1 Acylated Spiropiperidine Derivatives as Melanocortin-4 Receptor Modulators MERCK & CO., INC. (US) 2009-07-02 US disclosed
US-20090163534-A1 Indolizine Derivatives ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 US disclosed
EP-1910357-A2 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS Argenta Discovery Limited (GB) 2008-04-16 EP disclosed
WO-2007041052-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-12 WO disclosed
WO-2006136859-A2 INDOLI ZINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2006-12-28 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 (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-20090163534-A1 Indolizine Derivatives HRH4, HRH2, NR1H2 CA12 1528/4885CA1 2495/4885CA2 945/4885
US-20090170863-A1 Acylated Spiropiperidine Derivatives as Melanocortin-4 Receptor Modulators MC4R, MC5R, MC3R CA12 4638/4885CA1 4874/4885CA2 4818/4885

“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.