SCHEMBL7796079

SCHEMBL7796079

CC(=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.42
SIRT2 Q8IXJ6 12/20 0.39
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
APEX1 P27695 5/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NR4A2 P43354 1/20 0.35
RXRG P48443 1/20 0.35

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
SCHEMBL7796077 1.00 AKR1C3 (0.42) AKR1C3SIRT2CYP11B1CYP11B2APEX1
SCHEMBL7621404 0.82 CYP11B1 (0.40) SIRT2CYP11B1CYP11B2
SCHEMBL6714982 0.78 RAB9A (0.42) SIRT2CYP11B1CYP11B2
SCHEMBL6714980 0.78 RAB9A (0.42) SIRT2CYP11B1CYP11B2
SCHEMBL2741592 0.78 CYP11B1 (0.36) SIRT2CYP11B1CYP11B2
SCHEMBL223714 0.78 CYP11B1 (0.36) SIRT2CYP11B1CYP11B2
SCHEMBL223715 0.78 CYP11B1 (0.36) SIRT2CYP11B1CYP11B2
SCHEMBL312750 0.77 CYP11B1 (0.43) SIRT2CYP11B1CYP11B2
SCHEMBL8687555 0.76 CYP11B1 (0.42) SIRT2CYP11B1CYP11B2
SCHEMBL6926961 0.76 KDM4E (0.43) SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010047100-A1 Chiral imidazoyl intermediates for the synthesis of 2-(4-imidazoyl)-cyclopropyl derivatives KJAERSGAARD HANS JOERGEN (DK) 2001-11-29 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-20010047100-A1 Chiral imidazoyl intermediates for the synthesis of 2-(4-imidazoyl)-cyclopropyl derivatives HRH4, HRH2, HRH1 AKR1C3 2151/4885SIRT2 2591/4885CYP11B1 3958/4885

“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.