SCHEMBL3079148

SCHEMBL3079148

CC(C)(C)OC(=O)N1CCc2sc(C(=O)N3CCC4(CC3)CCN(c3ccncc3)CC4)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.48
CYP3A4 P08684 8/20 0.48
CYP2D6 P10635 8/20 0.46
CYP2C9 P11712 8/20 0.46
CYP1A2 P05177 5/20 0.46
CYP2C19 P33261 4/20 0.46
TSHR P16473 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3088118 0.86 CYP3A4 (0.55) HIF1ACYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL3084317 0.82 CYP3A4 (0.55) HIF1ACYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL3082921 0.80 BDKRB1 (0.48) HIF1ACYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL484823 0.80 HIF1A (0.74) HIF1ACYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL3101951 0.79 CYP3A4 (0.58) HIF1ACYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL6423341 0.79 USP2 (0.49) SMN1; SMN2ALDH1A1HPGDBRD4CREBBP
SCHEMBL3102449 0.78 CYP3A4 (0.49) HIF1ACYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL3723812 0.77 CYP3A4 (0.55) HIF1ACYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL3084232 0.76 CYP3A4 (0.50) HIF1ACYP3A4CYP2D6CYP2C9CYP1A2
Hydrochloric Acid SCHEMBL3088740 0.76 CYP3A4 (0.54) HIF1ACYP3A4CYP2D6CYP2C9CYP1A2

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 6 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
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 HIF1A 1241/4885CYP3A4 1215/4885CYP2D6 950/4885

“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.