SCHEMBL3101951

SCHEMBL3101951

CC(C)(C)OC(=O)N1Cc2ccc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.58
CYP2D6 P10635 10/20 0.58
CYP1A2 P05177 5/20 0.58
CYP2C9 P11712 13/20 0.54
TSHR P16473 8/20 0.54
HIF1A Q16665 5/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP2C19 P33261 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.49
USP2 O75604 2/20 0.49
HSD17B10 Q99714 1/20 0.49
BDKRB1 P46663 1/20 0.48
MAPK1 P28482 3/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL3084317 0.94 CYP3A4 (0.55) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL3087222 0.85 CYP3A4 (0.67) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL484823 0.83 HIF1A (0.74) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL3101947 0.82 CYP3A4 (0.62) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL13151516 0.80 CYP3A4 (0.66) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL31070494 0.80 HDAC1 (0.54) CYP3A4ALDH1A1CYP2C19MAPK1
SCHEMBL3088990 0.80 CYP3A4 (0.63) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL4238923 0.80 CYP3A4 (0.60) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL485435 0.79 HIF1A (0.67) CYP3A4CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL3079148 0.79 HIF1A (0.48) CYP3A4CYP2D6CYP1A2CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-8357717-B2 Spiro group-containing amide compounds having bradykinin 1 receptor (B1R) activity GRUENENTHAL GMBH (DE) 2013-01-22 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US disclosed
WO-2010089127-A1 SUBSTITUTED SPIRO-AMIDES AS B1R MODULATORS Grünenthal GmbH (DE) 2010-08-12 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 (1 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-20100234340-A1 Substituted Spiroamide Compounds BDKRB1, BDKRB2, AVPR1B CYP3A4 1215/4885CYP2D6 950/4885CYP1A2 1392/4885

“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.