SCHEMBL485072

SCHEMBL485072

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccncc1)C2

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.67
HIF1A Q16665 4/20 0.67
CYP2C19 P33261 4/20 0.67
ALDH1A1 P00352 2/20 0.67
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CYP2C9 P11712 7/20 0.59
CYP2D6 P10635 4/20 0.59
TSHR P16473 3/20 0.58
CYP1A2 P05177 1/20 0.58
ALOX15 P16050 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
ITGB3 P05106 5/20 0.56
ITGA2B P08514 5/20 0.56
CYP11B2 P19099 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL484568 0.94 CYP3A4 (0.77) CYP3A4HIF1ACYP2C19ALDH1A1MEN1
SCHEMBL30042024 0.94 CYP3A4 (0.67) CYP3A4HIF1ACYP2C19ALDH1A1MEN1
SCHEMBL484102 0.93 HIF1A (0.63) CYP3A4HIF1ACYP2C19ALDH1A1MEN1
SCHEMBL38662223 0.93 CYP3A4 (0.62) CYP3A4HIF1ACYP2C19ALDH1A1MEN1
SCHEMBL484823 0.92 HIF1A (0.74) CYP3A4HIF1ACYP2C19ALDH1A1MEN1
SCHEMBL16622443 0.89 HIF1A (0.61) CYP3A4HIF1ACYP2C19ALDH1A1CYP2C9
SCHEMBL484571 0.88 CYP3A4 (0.70) CYP3A4HIF1ACYP2C19ALDH1A1MEN1
SCHEMBL485459 0.88 CYP3A4 (0.77) CYP3A4HIF1ACYP2C19ALDH1A1MEN1
SCHEMBL485435 0.88 HIF1A (0.67) CYP3A4HIF1ACYP2C19ALDH1A1MEN1
SCHEMBL23412152 0.87 CYP3A4 (0.64) CYP3A4HIF1ACYP2C19ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 EP disclosed
EP-2403854-B1 SULFONYLATED TETRAHYDROAZOLOPYRAZINES AND THEIR USE AS MEDICINAL PRODUCTS GRUENENTHAL GMBH (DE) 2013-09-11 EP disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
WO-2010142402-A1 SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES Grünenthal GmbH (DE) 2010-12-16 WO disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 WO disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885HIF1A 1157/4885CYP2C19 2325/4885
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 CYP3A4 984/4885HIF1A 1067/4885CYP2C19 380/4885
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 CYP3A4 253/4885HIF1A 791/4885CYP2C19 247/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN CYP3A4 3781/4885HIF1A 1157/4885CYP2C19 2325/4885

“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.