SCHEMBL9883961

SCHEMBL9883961

CCCn1cnc2cccc(C)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ TLR8 Q9NR97 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ ADORA2A P29274 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ PDE4A P27815 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ADORA2B P29275 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DPP4 P27487 1/20 0.38

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
SCHEMBL13782270 0.86 CYP11B1 (0.46) CYP11B1CYP11B2TLR8TDP1ADORA2A
SCHEMBL25870842 0.82 CYP11B1 (0.41) CYP11B1CYP11B2TDP1LMNASMN1; SMN2
SCHEMBL8204588 0.78 POLB (0.53) CYP11B1CYP11B2TDP1ADORA2ALMNA
SCHEMBL9883726 0.78 CYP11B1 (0.43) CYP11B1CYP11B2TDP1LMNASMN1; SMN2
SCHEMBL4724897 0.76 DPP4 (0.50) CYP11B1CYP11B2TLR8ADORA2ALMNA
SCHEMBL3042764 0.76 PTGS2 (0.48) CYP11B1CYP11B2SMN1; SMN2HTTADORA2B
SCHEMBL12985518 0.74 ALDH1A1 (0.42) CYP11B1CYP11B2SMN1; SMN2HTTMAPT
SCHEMBL230330 0.73 TDP1 (0.78) CYP11B1CYP11B2TDP1LMNASMN1; SMN2
SCHEMBL19848066 0.72 TLR8 (0.43) CYP11B1CYP11B2TLR8TDP1ADORA2A
Bromide SCHEMBL10912945 0.71 TDP1 (0.75) CYP11B1CYP11B2TDP1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193214-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-05 — — US disclosed
US-20100029637-A1 Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 — — 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-20100029637-A1 Chymase Inhibitors CMA1, CPA3, SERPINB1 CYP11B1 3065/4885CYP11B2 3119/4885TLR8 3599/4885

“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.

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