SCHEMBL10224029

SCHEMBL10224029

CC(C)(C)Cc1cccc(OCCOc2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 6/20 0.53
▸ CHRNA4 P43681 6/20 0.53
▸ MAPK1 P28482 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TSHR P16473 1/20 0.43

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
SCHEMBL10223959 0.87 LMNA (0.62) CHRNB2CHRNA4LMNATDP1
SCHEMBL10272949 0.85 CHRNB2 (0.55) CHRNB2CHRNA4MAPK1TDP1TSHR
SCHEMBL10224056 0.83 GGPS1 (0.46) MAPK1LMNATSHR
SCHEMBL10224068 0.81 GGPS1 (0.48) CHRNB2CHRNA4MAPK1TSHR
SCHEMBL10224093 0.81 CHRNB2 (0.54) CHRNB2CHRNA4MAPK1LMNATDP1
SCHEMBL12866793 0.81 GGPS1 (0.50) MAPK1TDP1TSHR
SCHEMBL12775663 0.78 ALDH1A1 (0.48) CHRNB2CHRNA4MAPK1TDP1TSHR
SCHEMBL12667879 0.78 CHRNB2 (0.62) CHRNB2CHRNA4
SCHEMBL10223981 0.78 GGPS1 (0.42) CHRNB2CHRNA4MAPK1NPSR1TDP1
SCHEMBL10235855 0.77 TSHR (0.52) CHRNB2CHRNA4MAPK1NPSR1TDP1

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-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 — — US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 — — 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT CHRNB2 3321/4885CHRNA4 3917/4885MAPK1 864/4885

“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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