SCHEMBL14068213

SCHEMBL14068213

COc1cc(C(=O)N2CC[C@H](O)C2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.54
▸ LRRK2 Q5S007 2/20 0.52
▸ LMNA P02545 1/20 0.49
▸ GRM3 Q14832 2/20 0.48
▸ HTR4 Q13639 2/20 0.47
▸ PDK2 Q15119 1/20 0.46
▸ CHRM4 P08173 1/20 0.45
▸ CHRM5 P08912 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TAF1 P21675 1/20 0.45

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
SCHEMBL15651433 1.00 HSD11B1 (0.54) HSD11B1LRRK2LMNAGRM3HTR4
SCHEMBL15650487 1.00 HSD11B1 (0.54) HSD11B1LRRK2LMNAGRM3HTR4
SCHEMBL15653314 0.92 HSD11B1 (0.59) HSD11B1LRRK2LMNAGRM3HTR4
SCHEMBL9028457 0.88 LMNA (0.62) LRRK2LMNAKDM4EALDH1A1
SCHEMBL10093234 0.87 HSD11B1 (0.54) HSD11B1LRRK2LMNAHTR4CHRM4
SCHEMBL29531684 0.87 HSD11B1 (0.54) HSD11B1LMNAHTR4
SCHEMBL15650148 0.87 HSD11B1 (0.54) HSD11B1LRRK2LMNAHTR4CHRM4
SCHEMBL15653410 0.87 HSD11B1 (0.54) HSD11B1LRRK2LMNAHTR4CHRM4
SCHEMBL790385 0.85 LRRK2 (0.60) LRRK2LMNAGRM3PDK2KDM4E
SCHEMBL13575562 0.84 HSD11B1 (0.59) HSD11B1LMNAHTR4CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580439-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2017-02-28 — — US disclosed
US-9580439-B2 Inhibitors of focal adhesion kinase THE SCRIPPS RESEARCH INSTITUTE (US) 2017-02-28 — — US disclosed
EP-2134689-B1 INHIBITORS OF FOCAL ADHESION KINASE SCRIPPS RESEARCH INST (US) 2014-04-23 — — EP disclosed
US-20130281443-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 — — US disclosed
US-20130281443-A1 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-24 — — US disclosed
WO-2008115369-A2 INHIBITORS OF FOCAL ADHESION KINASE THE SCRIPPS RESEARCH INSTITUTE (US) 2008-09-25 — — 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-20130281443-A1 INHIBITORS OF FOCAL ADHESION KINASE PTK2, CABLES1, TNK2 HSD11B1 4818/4885LRRK2 1567/4885LMNA 2437/4885

“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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