SCHEMBL13028811

SCHEMBL13028811

COc1cc(CC(C)(C)C)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.65
LOX P28300 3/20 0.65
FFAR1 O14842 1/20 0.38
SLC13A5 Q86YT5 1/20 0.37
CHRM1 P11229 1/20 0.37
ESR1 P03372 1/20 0.36
NUDT1 P36639 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
CCR9 P51686 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
LRRK2 Q5S007 1/20 0.35
ACACB O00763 1/20 0.35
GRM2 Q14416 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL17541267 0.85 LOXL2 (0.61) LOXL2LOXFFAR1SLC13A5AAK1
SCHEMBL441300 0.84 LOXL2 (0.60) LOXL2LOXFFAR1SLC13A5CHRM1
SCHEMBL21227110 0.81 LOXL2 (0.61) LOXL2LOXFFAR1SLC13A5CHRM1
SCHEMBL12093687 0.81 LOXL2 (0.65) LOXL2LOXFFAR1SLC13A5AAK1
SCHEMBL19251359 0.80 LOXL2 (0.59) LOXL2LOXFFAR1SLC13A5CHRM1
SCHEMBL805488 0.80 LOXL2 (0.69) LOXL2LOXFFAR1SLC13A5CCR1
SCHEMBL10223989 0.80 LOXL2 (0.43) LOXL2LOX
SCHEMBL440214 0.79 LOXL2 (0.57) LOXL2LOXFFAR1SLC13A5CHRM1
SCHEMBL130180 0.78 LOXL2 (0.67) LOXL2LOXFFAR1SLC13A5AAK1
SCHEMBL2224895 0.78 LOXL2 (0.67) LOXL2LOXFFAR1SLC13A5CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014921-B2 Therapeutic compounds and methods of use thereof REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-05-25 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-20130109686-A1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-05-02 US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 US 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 (4 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-20130109686-A1 ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRD1, OPRL1 LOXL2 4806/4885LOX 4774/4885FFAR1 164/4885
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 LOXL2 3351/4885LOX 4018/4885FFAR1 242/4885
US-11014921-B2 Therapeutic compounds and methods of use thereof CD47, C3AR1, HLA-DRB1 LOXL2 3337/4885LOX 3654/4885FFAR1 2499/4885
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 LOXL2 2368/4885LOX 1908/4885FFAR1 180/4885

“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.