SCHEMBL3096735

SCHEMBL3096735

CC(=O)N1CCC2(CC1)CCN(c1ccncc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 1.00
TSHR P16473 4/20 1.00
CYP3A4 P08684 4/20 0.73
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
USP2 O75604 2/20 0.72
HIF1A Q16665 2/20 0.72
CYP2D6 P10635 6/20 0.67
CYP1A2 P05177 5/20 0.65
CYP2C19 P33261 4/20 0.65
ALDH1A1 P00352 3/20 0.65
MAPK1 P28482 2/20 0.65
HPGD P15428 1/20 0.65
ALOX12 P18054 1/20 0.65
HSD17B10 Q99714 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.62
ITGB3 P05106 4/20 0.61
ITGA2B P08514 4/20 0.61

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
SCHEMBL3095008 0.91 CYP2C9 (0.83) CYP2C9TSHRCYP3A4MEN1KMT2A
SCHEMBL3088233 0.91 MEN1 (0.87) CYP2C9TSHRCYP3A4MEN1KMT2A
SCHEMBL3099022 0.87 CYP3A4 (0.87) CYP2C9TSHRCYP3A4MEN1KMT2A
SCHEMBL641121 0.86 CYP2C9 (0.75) CYP2C9TSHRCYP3A4USP2HIF1A
SCHEMBL6603738 0.85 CYP2C9 (0.73) CYP2C9TSHRCYP3A4MEN1KMT2A
SCHEMBL23126615 0.81 CASP6 (0.73) CYP2C9TSHRCYP3A4MEN1KMT2A
SCHEMBL484957 0.81 CYP3A4 (0.68) CYP2C9TSHRCYP3A4MEN1KMT2A
SCHEMBL484823 0.80 HIF1A (0.74) CYP2C9TSHRCYP3A4MEN1KMT2A
SCHEMBL640636 0.80 ITGB3 (0.67) CYP2C9TSHRCYP3A4MEN1KMT2A
SCHEMBL6132956 0.79 USP2 (0.69) CYP2C9TSHRCYP3A4MEN1KMT2A

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 CYP2C9 351/4885TSHR 704/4885CYP3A4 1215/4885

“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.