SCHEMBL3099022

SCHEMBL3099022

CC(=O)N1CCC2(CCN(c3ccncc3)C2)C1

nearest known ligand 0.87

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.87
CYP2C9 P11712 6/20 0.84
TSHR P16473 4/20 0.76
MEN1 O00255 1/20 0.76
KMT2A Q03164 1/20 0.76
CYP2C19 P33261 6/20 0.66
HSD17B10 Q99714 1/20 0.66
CYP2D6 P10635 3/20 0.65
HIF1A Q16665 3/20 0.65
ALDH1A1 P00352 4/20 0.61
MAPK1 P28482 1/20 0.61
CYP1A2 P05177 1/20 0.59
USP2 O75604 1/20 0.58
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58

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
SCHEMBL3088233 0.93 MEN1 (0.87) CYP3A4CYP2C9TSHRMEN1KMT2A
SCHEMBL3095008 0.93 CYP2C9 (0.83) CYP3A4CYP2C9TSHRMEN1KMT2A
SCHEMBL639215 0.87 CYP3A4 (0.68) CYP3A4CYP2C9TSHRMEN1KMT2A
SCHEMBL3096735 0.87 CYP2C9 (1.00) CYP3A4CYP2C9TSHRMEN1KMT2A
SCHEMBL484916 0.82 ITGB3 (0.68) CYP3A4CYP2C9TSHRMEN1KMT2A
SCHEMBL30042024 0.82 CYP3A4 (0.67) CYP3A4CYP2C9TSHRMEN1KMT2A
SCHEMBL16611629 0.81 CYP2C9 (0.64) CYP3A4CYP2C9TSHRCYP2C19HSD17B10
SCHEMBL640636 0.79 ITGB3 (0.67) CYP3A4CYP2C9TSHRMEN1KMT2A
SCHEMBL11955978 0.79 CYP3A4 (0.65) CYP3A4CYP2C9TSHRMEN1KMT2A
SCHEMBL30333555 0.79 CYP2C9 (0.61) CYP3A4CYP2C9TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234340-A1 Substituted Spiroamide Compounds GRUENENTHAL GMBH (DE) 2010-09-16 US claimed
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

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 1215/4885CYP2C9 351/4885TSHR 704/4885

“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.