SCHEMBL3538133

SCHEMBL3538133

CCOC(=O)c1cc(-c2ccc(C)nc2)n(C)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.53
▸ MMP13 P45452 4/20 0.53
▸ MMP2 P08253 2/20 0.53
▸ MMP14 P50281 2/20 0.53
▸ CA9 Q16790 2/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ CHRNA7 P36544 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ AURKA O14965 1/20 0.41
▸ MMP10 P09238 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ DRD5 P21918 1/20 0.41
▸ MAPKAPK2 P49137 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ MAPT P10636 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
SCHEMBL17383762 0.85 PLA2G10 (0.53) FAAHMMP13MMP2MMP14CA9
SCHEMBL17375118 0.84 FAAH (0.52) FAAHMMP13MMP2MMP14CA9
SCHEMBL4693449 0.83 FAAH (0.59) FAAHMMP13MMP2MMP14CA9
SCHEMBL15378572 0.82 FAAH (0.58) FAAHMMP13MMP2MMP14CA9
SCHEMBL3603850 0.82 CHRNA7 (0.60) FAAHMMP13MMP2MMP14CA9
SCHEMBL5023193 0.82 CHRNA7 (0.60) FAAHMMP13MMP2MMP14CA9
SCHEMBL4692320 0.82 FAAH (0.58) FAAHMMP13MMP2MMP14CA9
SCHEMBL2837261 0.81 ALDH1A1 (0.50) FAAHMMP13MMP2MMP14CA9
SCHEMBL1779589 0.81 CA9 (0.59) FAAHMMP13MMP2MMP14CA9
SCHEMBL4694993 0.81 FAAH (0.63) FAAHMMP13MMP2MMP14CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 — — US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 — — US disclosed
CN-101277932-A Aryl-substituted nitrogen-containing heterocyclic compound BANYU PHARMA CO LTD (JP) 2008-10-01 — — CN disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 — — EP 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-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 FAAH 362/4885MMP13 4448/4885MMP2 4022/4885

“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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