SCHEMBL375084

SCHEMBL375084

Fc1ccc(CNC2CCOCC2)cc1OCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.44
DUT P33316 1/20 0.43
KCNH2 Q12809 1/20 0.42
GRM2 Q14416 1/20 0.40
CHEK1 O14757 1/20 0.40
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
MAP4K4 O95819 1/20 0.38
SCN9A Q15858 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL375334 0.83 ALDH1A1 (0.48) KCNH2CHEK1ALDH1A1HTTKDM1A
SCHEMBL1394857 0.81 NPSR1 (0.39) OPRL1KCNH2CHEK1PARP1ALDH1A1
SCHEMBL375092 0.81 DUT (0.43) OPRL1DUTKCNH2PARP1ALDH1A1
SCHEMBL375224 0.81 OPRL1 (0.42) OPRL1PARP1ALDH1A1HTT
SCHEMBL375105 0.80 KDM1A (0.48) OPRL1PARP1HTTMAP4K4KDM1A
SCHEMBL375074 0.77 POLB (0.47) OPRL1PARP1ALDH1A1HTTMAP4K4
SCHEMBL374926 0.76 PARP1 (0.43) OPRL1PARP1HTTMAP4K4KDM1A
SCHEMBL20188035 0.74 CYP4F2 (0.50) DUTGRM2SCN9AHTR2AHTR2C
SCHEMBL20208255 0.74 DUT (0.42) DUTGRM2HTR2AHTR2CHTR2B
SCHEMBL1409376 0.74 HTR2C (0.48) DUTGRM2HTR2AHTR2CHTR2B

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 OPRL1 289/4885DUT 4884/4885KCNH2 1870/4885

“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.