SCHEMBL2063087

SCHEMBL2063087

BrCc1cccc(OCCOc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.50
▸ BCHE P06276 3/20 0.49
▸ MAOB P27338 5/20 0.49
▸ TSHR P16473 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TRPA1 O75762 1/20 0.48
▸ CYP4F2 P78329 1/20 0.46
▸ CYP4A11 Q02928 1/20 0.46
▸ DRD4 P21917 2/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ DRD3 P35462 1/20 0.44

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
SCHEMBL9476790 0.94 KCNA3 (0.59) KCNA3BCHEMAOBTSHRALDH1A1
SCHEMBL13672772 0.94 MAOB (0.46) BCHEMAOBTSHRALDH1A1TRPA1
SCHEMBL7254138 0.86 PRSS1 (0.47) KCNA3MAOBTSHRALDH1A1
SCHEMBL10498111 0.85 KCNA3 (0.48) KCNA3BCHEMAOBALDH1A1CYP4F2
SCHEMBL31214329 0.85 KDM4E (0.50) BCHEMAOBTSHRALDH1A1GAA
SCHEMBL2062788 0.85 KDM4E (0.50) BCHEMAOBTSHRALDH1A1GAA
SCHEMBL29411728 0.85 MAOB (0.68) BCHEMAOBCYP4F2CYP4A11MAOA
SCHEMBL80829 0.85 MAOB (0.68) BCHEMAOBCYP4F2CYP4A11MAOA
SCHEMBL13672782 0.84 MAOB (0.51) MAOBALDH1A1DRD4DRD2DRD3
SCHEMBL2932600 0.83 KMT2A (0.51) BCHETSHRALDH1A1DRD2

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 8 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-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 — — US disclosed
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
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 — — US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 — — US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 — — WO disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 — — WO 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 KCNA3 1221/4885BCHE 342/4885MAOB 274/4885

“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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