SCHEMBL375103

SCHEMBL375103

c1ccc2cc(CNC3CCOCC3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.46
CCR3 P51677 1/20 0.46
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
MC4R P32245 2/20 0.44
MC5R P33032 2/20 0.44
MAP4K4 O95819 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MC3R P41968 1/20 0.42
SSTR3 P32745 1/20 0.42
GRIN2B Q13224 1/20 0.41
TGFBR1 P36897 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
SCHEMBL695325 0.89 MEN1 (0.56) DRD4CCR3MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL2807810 0.87 MEN1 (0.59) DRD4CCR3MEN1RAB9AKMT2A
SCHEMBL15760101 0.84 HRH3 (0.59) DRD4CCR3MEN1RAB9AKMT2A
SCHEMBL1007347 0.81 SLC6A4 (0.56) DRD4CCR3
Hydrochloric Acid SCHEMBL6186358 0.80 SLC6A4 (0.55) DRD4CCR3MEN1RAB9AKMT2A
SCHEMBL375264 0.80 GRIN2B (0.62) MEN1RAB9AKMT2AOPRM1OPRK1
SCHEMBL24975821 0.78 PDCD1 (0.44) DRD4MEN1RAB9AKMT2APDCD1
SCHEMBL31429087 0.78 PDCD1 (0.44) DRD4MEN1RAB9AKMT2APDCD1
SCHEMBL375410 0.78 POLB (0.47) OPRM1OPRK1PRMT5WDR77SSTR3
SCHEMBL375157 0.78 MEN1 (0.75) MEN1RAB9AKMT2APDCD1CD274

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 7 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
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
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
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 US 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 DRD4 256/4885CCR3 4688/4885MEN1 2688/4885

“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.