SCHEMBL375334

SCHEMBL375334

COc1cc(CNC2CCOCC2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
HTT P42858 2/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
KCNH2 Q12809 2/20 0.46
CHEK1 O14757 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
GAA P10253 1/20 0.45
CTSD P07339 2/20 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
SCHEMBL375092 0.84 DUT (0.43) ALDH1A1KDM4EPOLBHTTKCNH2
SCHEMBL375224 0.84 OPRL1 (0.42) ALDH1A1HTT
SCHEMBL375084 0.83 OPRL1 (0.44) ALDH1A1HTTKCNH2CHEK1KDM1A
SCHEMBL375105 0.83 KDM1A (0.48) POLBHTTPDCD1CD274KMT2A
SCHEMBL1394857 0.82 NPSR1 (0.39) ALDH1A1KDM4EHTTKCNH2CHEK1
SCHEMBL375074 0.80 POLB (0.47) ALDH1A1POLBHTT
SCHEMBL16992091 0.80 MEN1 (0.50) ALDH1A1KDM4EPOLBPDCD1CD274
SCHEMBL374926 0.79 PARP1 (0.43) KDM4EPOLBHTTPDCD1CD274
SCHEMBL20605181 0.78 PARP1 (0.41) POLBHTTPDCD1CD274KDM1A
SCHEMBL25609125 0.77 MEN1 (0.57) ALDH1A1KDM4EKMT2AMEN1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
EP-2409976-A1 GLYCINE TRANSPORTER INHIBITOR Taisho Pharmaceutical Co., Ltd. (JP) 2012-01-25 EP disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 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-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC18A2, SLC1A2, SLC6A1 ALDH1A1 1730/4885KDM4E 4384/4885POLB 3019/4885

“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.