SCHEMBL11953379

SCHEMBL11953379

COC(=O)C1(Cc2ccccc2F)CCN1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
OPRM1 P35372 1/20 0.39
KMT2A Q03164 5/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
RIPK1 Q13546 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11954303 0.84 OPRM1 (0.40) OPRM1KMT2ARAB9AMEN1PKM
SCHEMBL15383292 0.83 HPGD (0.45) ALDH1A1KMT2ARAB9AMEN1HPGD
SCHEMBL1817740 0.80 ARG1 (0.41) ALDH1A1KMT2ARAB9AMEN1CYP3A4
SCHEMBL29274952 0.80 ARG1 (0.41) ALDH1A1KMT2ARAB9AMEN1CYP3A4
SCHEMBL11954278 0.80 TACR1 (0.46) ALDH1A1OPRM1KMT2AMEN1CYP3A4
SCHEMBL11955078 0.77 HRH3 (0.46) ALDH1A1KMT2ARAB9AMEN1CYP3A4
Hydrochloric Acid SCHEMBL2084335 0.73 SLC6A2 (0.51) ALDH1A1OPRM1KMT2ARAB9AMEN1
SCHEMBL11953374 0.71 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1POLBLMNA
SCHEMBL11954298 0.71 SSTR4 (0.44) ALDH1A1KMT2AMEN1MAOBPOLB
SCHEMBL11954293 0.70 MEN1 (0.47) ALDH1A1KMT2AMEN1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC ALDH1A1 1373/4885OPRM1 4863/4885KMT2A 3849/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC ALDH1A1 1373/4885OPRM1 4863/4885KMT2A 3849/4885

“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.