SCHEMBL375242

SCHEMBL375242

O=C(c1nc[nH]n1)N(Cc1ccc(OC(F)(F)F)cc1)C1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.41
GIPR P48546 2/20 0.41
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
ADCY6 O43306 1/20 0.39
ADCY3 O60266 1/20 0.39
ADCY9 O60503 1/20 0.39
ADCY5 O95622 1/20 0.39
ADCY8 P40145 1/20 0.39
GLP1R P43220 1/20 0.39
ADCY7 P51828 1/20 0.39
ADCY2 Q08462 1/20 0.39
ADCY1 Q08828 1/20 0.39
ADCY4 Q8NFM4 1/20 0.39
NTRK1 P04629 1/20 0.39
SLC6A9 P48067 2/20 0.38
KCNH2 Q12809 2/20 0.38
SLC6A5 Q9Y345 2/20 0.38
UBE2M P61081 1/20 0.37

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
SCHEMBL375492 0.89 SLC6A9 (0.51) NTRK1SLC6A9KCNH2SLC6A5UBE2M
SCHEMBL380007 0.87 SLC6A9 (0.36) CCNA2CDK2CCNA1NTRK1SLC6A9
SCHEMBL375541 0.86 TACR1 (0.38) NTRK1SLC6A9KCNH2SLC6A5CYP2D6
SCHEMBL375432 0.85 EPHX1 (0.39) NTRK1SLC6A9KCNH2SLC6A5CYP2D6
SCHEMBL375116 0.82 KDM4E (0.40) SLC6A9KCNH2SLC6A5CYP2D6
SCHEMBL375095 0.81 TACR1 (0.43) SLC6A9KCNH2SLC6A5UBE2MDCUN1D1
SCHEMBL375145 0.81 SLC6A4 (0.49) CCNA2CDK2CCNA1KCNH2CYP2D6
SCHEMBL375594 0.81 KCNH2 (0.39) SLC6A9KCNH2SLC6A5CYP2D6
SCHEMBL375305 0.79 SLC6A9 (0.36) SLC6A9KCNH2SLC6A5CYP2D6
SCHEMBL375147 0.78 TACR1 (0.41) SLC6A9KCNH2SLC6A5

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 GCGR 512/4885GIPR 551/4885CCNA2 4429/4885

“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.