SCHEMBL999995

SCHEMBL999995

Fc1ccc(CNC2CCCC2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
HRH3 Q9Y5N1 2/20 0.53
ALDH1A1 P00352 5/20 0.47
HDAC1 Q13547 1/20 0.47
MITF O75030 1/20 0.44
TSHR P16473 1/20 0.44
PABPC1 P11940 1/20 0.44
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 4/20 0.42
PKM P14618 1/20 0.42
IDO1 P14902 1/20 0.41

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
SCHEMBL1000678 0.98 HRH3 (0.56) POLBHRH3ALDH1A1HDAC1MITF
SCHEMBL15104570 0.97 POLB (0.50) POLBHRH3ALDH1A1HDAC1MITF
SCHEMBL374844 0.86 KDM4E (0.51) POLBHRH3ALDH1A1HDAC1MITF
SCHEMBL374926 0.86 PARP1 (0.43) POLBHRH3KDM4E
SCHEMBL23124848 0.80 KCNH2 (0.45) POLBHRH3ALDH1A1HDAC1KCNH2
SCHEMBL375294 0.78 KDM1A (0.37) POLBALDH1A1TSHRKDM4E
SCHEMBL20605102 0.76 HRH3 (0.51) POLBHRH3ALDH1A1HDAC1TSHR
SCHEMBL375612 0.76 HTT (0.62) POLBALDH1A1TSHRKDM4EPKM
SCHEMBL2645047 0.75 HRH3 (0.69) POLBHRH3ALDH1A1HDAC1KCNH2
SCHEMBL11431895 0.75 HRH3 (0.69) POLBHRH3ALDH1A1HDAC1TSHR

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-2454240-A1 GLYCINE TRANSPORTER INHIBITORS Taisho Pharmaceutical Co., Ltd. (JP) 2012-05-23 EP disclosed
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 US disclosed
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 US disclosed
US-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL C0., LTD. (JP) 2012-05-10 US disclosed
WO-2011007899-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 WO disclosed
WO-2011007899-A1 GLYCINE TRANSPORTER INHIBITORS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 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-20120116095-A1 GLYCINE TRANSPORTER INHIBITORS SLC6A5, SLC1A2, SLC18A2 POLB 3106/4885HRH3 452/4885ALDH1A1 2369/4885

“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.