SCHEMBL5580

SCHEMBL5580

COCC(C)(C)c1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
CYP3A4 P08684 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KIF11 P52732 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL394967 0.84 NPC1 (0.47) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL8351691 0.80 TSHR (0.48) MAPTNPC1RAB9AGRIN2DGRIN3B
SCHEMBL2441358 0.79 LOXL2 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3045525 0.78 GRIN2D (0.38) MAPTNPC1RAB9AGRIN2DGRIN3B
SCHEMBL9108021 0.78 GRIN2D (0.38) MAPTNPC1RAB9AMAPK1ALDH1A1
SCHEMBL9443 0.78 GRIN2D (0.38) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL10430997 0.78 SHBG (0.57) ALDH1A1HPGDGRIN2DGRIN3BGRIN1
SCHEMBL9105648 0.78 ALDH1A1 (0.37) MAPTNPC1RAB9AALDH1A1GRIN2D
SCHEMBL8278933 0.77 TAAR1 (0.54) MAPK1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL19194398 0.77 ESR1 (0.39) MAPTNPC1RAB9AALDH1A1HPGD

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 US disclosed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed
US-7320992-B2 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. (US) 2008-01-22 US disclosed
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use AMGEN INC. 2005-03-10 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 (9 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 470/4885NPC1 4398/4885RAB9A 872/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 501/4885NPC1 4727/4885RAB9A 944/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK MAPT 470/4885NPC1 4398/4885RAB9A 872/4885
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG MAPT 4813/4885NPC1 3400/4885RAB9A 1404/4885
US-20050054670-A1 Substituted 2,3-dihydro-1h-isoindol-1-one derivatives and methods of use VHL, DPYD, UGT1A1 MAPT 3183/4885NPC1 278/4885RAB9A 2631/4885
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL MAPT 4847/4885NPC1 19/4885RAB9A 3896/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885NPC1 4434/4885RAB9A 860/4885
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE MAPT 4513/4885NPC1 333/4885RAB9A 4456/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK MAPT 438/4885NPC1 4434/4885RAB9A 860/4885

“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.