SCHEMBL485435

SCHEMBL485435

CC(C)(C)OC(=O)N1CCCC2(CC1)CCN(c1ccncc1)CC2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.67
CYP2C9 P11712 8/20 0.61
TSHR P16473 6/20 0.61
CYP3A4 P08684 13/20 0.61
CYP2C19 P33261 5/20 0.61
ALDH1A1 P00352 2/20 0.61
CYP2D6 P10635 7/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
MAPK1 P28482 1/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 4/20 0.54
ALOX15 P16050 1/20 0.54

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
SCHEMBL484823 0.95 HIF1A (0.74) HIF1ACYP2C9TSHRCYP3A4CYP2C19
SCHEMBL484568 0.89 CYP3A4 (0.77) HIF1ACYP2C9TSHRCYP3A4CYP2C19
SCHEMBL485459 0.88 CYP3A4 (0.77) HIF1ACYP2C9TSHRCYP3A4CYP2C19
SCHEMBL484102 0.88 HIF1A (0.63) HIF1ACYP2C9TSHRCYP3A4CYP2C19
SCHEMBL485072 0.88 CYP3A4 (0.67) HIF1ACYP2C9TSHRCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL2306453 0.87 HIF1A (0.63) HIF1ACYP2C9TSHRCYP3A4CYP2C19
SCHEMBL16622443 0.86 HIF1A (0.61) HIF1ACYP2C9TSHRCYP3A4CYP2C19
SCHEMBL484571 0.86 CYP3A4 (0.70) HIF1ACYP2C9TSHRCYP3A4CYP2C19
SCHEMBL485227 0.85 CYP3A4 (0.71) HIF1ACYP2C9TSHRCYP3A4CYP2C19
SCHEMBL30042024 0.84 CYP3A4 (0.67) HIF1ACYP2C9TSHRCYP3A4CYP2C19

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-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
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 HIF1A 1157/4885CYP2C9 2259/4885TSHR 338/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HIF1A 1157/4885CYP2C9 2259/4885TSHR 338/4885

“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.