SCHEMBL17005403

SCHEMBL17005403

O[C@H](CNCc1ccccc1)COCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
TSHR P16473 3/20 0.52
DNM1 Q05193 1/20 0.50
CASR P41180 1/20 0.49
MAPK1 P28482 1/20 0.49
BCHE P06276 1/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
RGS12 O14924 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL24473808 1.00 CA1 (0.60) CA1CA2CA7CA9TSHR
SCHEMBL2810250 1.00 CA1 (0.60) CA1CA2CA7CA9TSHR
SCHEMBL31027408 0.89 TSHR (0.69) CA1CA2CA7CA9TSHR
SCHEMBL9168696 0.85 DNM1 (0.49) CA1CA2CA7CA9TSHR
SCHEMBL12228656 0.85 DNM1 (0.49) CA1CA2CA7CA9TSHR
SCHEMBL4633089 0.84 CA1 (0.57) CA1CA2CA7CA9TSHR
SCHEMBL4407591 0.84 CA1 (0.57) CA1CA2CA7CA9TSHR
SCHEMBL23581782 0.84 CA1 (0.57) CA1CA2CA7CA9TSHR
SCHEMBL23964580 0.84 MAPT (0.50) TSHRDNM1CASRBCHEADRB2
SCHEMBL23386838 0.84 KDM4E (0.50) TSHRDNM1BCHEADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2933248-B1 NOVEL RENIN INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2018-01-31 EP disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 US disclosed
EP-2933248-A1 NOVEL RENIN INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2015-10-21 EP disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 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-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE CA1 1845/4885CA2 64/4885CA7 360/4885

“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.