SCHEMBL11960352

SCHEMBL11960352

CC(C)c1cnc(CN2CCOCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.53
CXCR4 P61073 1/20 0.46
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
KCNH2 Q12809 1/20 0.39
ALOX15 P16050 2/20 0.39
CYP2A13 Q16696 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 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
SCHEMBL11981676 0.80 CXCR4 (0.51) HRH3CXCR4SMN1; SMN2ALOX15CYP2A13
SCHEMBL16840950 0.79 SMN1; SMN2 (0.51) HRH3CXCR4SMN1; SMN2ALOX15NPC1
SCHEMBL27676513 0.78 HRH3 (0.65) HRH3
SCHEMBL24721737 0.78 HRH3 (0.50) HRH3CXCR4MAPTSMN1; SMN2ALOX15
SCHEMBL12028961 0.77 HRH3 (0.51) HRH3MAPTSMN1; SMN2ALDH1A1HIF1A
SCHEMBL12028960 0.77 HRH3 (0.54) HRH3CXCR4MAPTKCNH2ALOX15
SCHEMBL4547902 0.77 CXCR4 (0.49) HRH3CXCR4MAPTSMN1; SMN2KCNH2
SCHEMBL11960346 0.77 MAPT (0.46) HRH3CXCR4MAPTSMN1; SMN2KCNH2
SCHEMBL31002170 0.76 CXCR4 (0.50) HRH3CXCR4SMN1; SMN2ALOX15CYP2A13
SCHEMBL29725198 0.76 CXCR4 (0.50) HRH3CXCR4SMN1; SMN2KCNH2CYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 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 (3 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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK HRH3 3738/4885CXCR4 1781/4885MAPT 4206/4885
US-20140171408-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R HRH3 605/4885CXCR4 154/4885MAPT 71/4885
US-20120202788-A1 AZABENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F12, CHRM1, NPY1R HRH3 605/4885CXCR4 154/4885MAPT 71/4885

“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.