SCHEMBL9959964

SCHEMBL9959964

CCOC(=O)c1nn(C2CCCCO2)c2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.47
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39

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
SCHEMBL12090318 0.90 ELANE (0.48) ELANEF2PLAU
SCHEMBL257733 0.89 ELANE (0.47) ELANEALDH1A1F2PLAU
SCHEMBL5241256 0.89 DGAT2 (0.41) ELANEALDH1A1TP53KDM4ENPC1
SCHEMBL9959564 0.88 ELANE (0.47) ELANEALDH1A1GABRG2GABRB3GABRA5
SCHEMBL257431 0.84 ELANE (0.44) ELANEGABRG2GABRB3GABRA5F2
SCHEMBL2237767 0.81 HTR3A (0.46) ELANEALDH1A1GABRG2GABRB3GABRA5
SCHEMBL16881036 0.80 CNR2 (0.39) ELANEALDH1A1KDM4E
SCHEMBL6207155 0.79 ELANE (0.43) ELANEALDH1A1TP53KDM4E
SCHEMBL2239274 0.79 ELANE (0.45) ELANEALDH1A1F2PLAU
SCHEMBL31622731 0.78 ELANE (0.38) ELANEALDH1A1TP53KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655370-B1 COMPOSITIONS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NOVARTIS AG (CH) 2015-12-24 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
US-9150568-B2 Compositions and methods for modulating FXR NOVARTIS AG (CH) 2015-10-06 US disclosed
EP-2655370-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2013-10-30 EP disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 WO disclosed
WO-2012087519-A1 COMPOSITIONS AND METHODS FOR MODULATING FXR IRM LLC (BM) 2012-06-28 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 (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-20150366856-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 ELANE 3208/4885ALDH1A1 2611/4885TP53 4662/4885

“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.