SCHEMBL375145

SCHEMBL375145

O=C(c1nc[nH]n1)N(Cc1ccc2ccccc2c1)C1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.49
SLC6A2 P23975 13/20 0.49
SLC6A3 Q01959 12/20 0.49
KCNH2 Q12809 5/20 0.47
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNE1 P24864 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
SCHEMBL375594 0.85 KCNH2 (0.39) SLC6A4SLC6A2SLC6A3KCNH2KMT2A
SCHEMBL375772 0.85 P2RX3 (0.42) KCNH2KMT2A
SCHEMBL375116 0.84 KDM4E (0.40) KCNH2CYP3A4CYP2D6
SCHEMBL375083 0.84 TACR1 (0.46) SLC6A4SLC6A2SLC6A3KCNH2LMNA
SCHEMBL374840 0.82 SLC6A9 (0.41) KCNH2CYP3A4CYP2D6
SCHEMBL375095 0.82 TACR1 (0.43) SLC6A4SLC6A2KCNH2
SCHEMBL375305 0.82 SLC6A9 (0.36) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL375492 0.82 SLC6A9 (0.51) KCNH2CYP3A4CYP2D6
SCHEMBL374835 0.81 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL375147 0.81 TACR1 (0.41) SLC6A4SLC6A2SLC6A3KCNH2

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 SLC6A4 11/4885SLC6A2 7/4885SLC6A3 9/4885

“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.