SCHEMBL379455

SCHEMBL379455

Ic1ccc(CNC2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
OPRM1 P35372 3/20 0.45
OPRK1 P41145 3/20 0.45
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
GRIN2B Q13224 1/20 0.42
CXCR3 P49682 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
TGFBR1 P36897 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 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
SCHEMBL14848246 0.82 ACHE (0.54) HRH3MEN1KMT2ARAB9APOLB
SCHEMBL17605614 0.82 BCHE (0.54) HRH3MEN1KMT2ARAB9APOLB
SCHEMBL17571835 0.82 HRH3 (0.49) HRH3MEN1KMT2ARAB9APOLB
SCHEMBL25033800 0.82 HRH3 (0.49) HRH3MEN1KMT2ARAB9APOLB
SCHEMBL375264 0.81 GRIN2B (0.62) HRH3MEN1KMT2ARAB9AOPRM1
SCHEMBL382597 0.80 MAP4K4 (0.46) POLBOPRM1OPRK1GRIN2BSIGMAR1
SCHEMBL375157 0.79 MEN1 (0.75) HRH3MEN1KMT2ARAB9AOPRM1
SCHEMBL14850003 0.78 SMN1; SMN2 (0.49) HRH3MEN1KMT2ARAB9APOLB
SCHEMBL22454183 0.78 ALDH1A1 (0.56) HRH3MEN1KMT2ARAB9APOLB
SCHEMBL12449607 0.78 KDM1A (0.48) HRH3MEN1KMT2ARAB9APOLB

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 HRH3 464/4885MEN1 2688/4885KMT2A 3137/4885

“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.