SCHEMBL12720716

SCHEMBL12720716

Oc1ccc2[nH]cc(CCNc3ccccn3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 4/20 0.63
▸ HTR2C P28335 4/20 0.59
▸ KDM4E B2RXH2 3/20 0.59
▸ CYP2D6 P10635 3/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ IDO1 P14902 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ NOTUM Q6P988 1/20 0.54
▸ PTGS1 P23219 3/20 0.54
▸ TRPV1 Q8NER1 3/20 0.54
▸ PTGS2 P35354 2/20 0.54
▸ LMNA P02545 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL14297198 0.85 MTNR1A (0.54) CYP2D6MEN1KMT2ANPSR1ALDH1A1
SCHEMBL14314334 0.80 HTR1A (0.62) KDM4ECYP2D6MEN1KMT2ANPSR1
SCHEMBL25253851 0.79 PTGS1 (0.67) SPRKDM4ECYP2D6NPSR1ALDH1A1
SCHEMBL30274831 0.79 PTGS1 (0.67) SPRKDM4ECYP2D6NPSR1ALDH1A1
SCHEMBL12720714 0.78 HTR2C (0.59) SPRHTR2CKDM4ECYP2D6MEN1
SCHEMBL2244808 0.78 SPR (0.59) SPRHTR2CKDM4ECYP2D6MEN1
SCHEMBL14297181 0.78 HTR2C (0.56) SPRHTR2CKDM4ECYP2D6MEN1
SCHEMBL12720717 0.77 SPR (1.00) SPRHTR2CKDM4ECYP2D6MEN1
SCHEMBL12720715 0.77 SPR (0.58) SPRHTR2CKDM4ECYP2D6MEN1
SCHEMBL27788551 0.76 HTR2C (0.75) SPRHTR2CKDM4ECYP2D6MEN1

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-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SOLACE PHARMACEUTICALS UK LTD. (GB) 2016-02-04 — — US disclosed
US-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SOLACE PHARMACEUTICALS UK LTD. (GB) 2016-02-04 — — US disclosed
US-9169234-B2 Sepiapterin reductase inhibitors for the treatment of pain CHILDREN'S MEDICAL CENTER CORPORATION (US) 2015-10-27 — — US disclosed
US-9169234-B2 Sepiapterin reductase inhibitors for the treatment of pain CHILDREN'S MEDICAL CENTER CORPORATION (US) 2015-10-27 — — US disclosed
US-20120322800-A1 Sepiapterin Reductase Inhibitors For The Treatment of Pain SOLACE PHARMACEUTICALS UK LTD. (GB) 2012-12-20 — — US disclosed
US-20120322800-A1 Sepiapterin Reductase Inhibitors For The Treatment of Pain SOLACE PHARMACEUTICALS UK LTD. (GB) 2012-12-20 — — US disclosed
WO-2011047156-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN HERCULES TECHNOLOGY MANAGEMENT CO V, INC. (US) 2011-04-21 — — WO 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 (2 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-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SPR, QDPR, SRR SPR 1/4885HTR2C 2295/4885KDM4E 3528/4885
US-20120322800-A1 Sepiapterin Reductase Inhibitors For The Treatment of Pain SPR, QDPR, SRR SPR 1/4885HTR2C 2295/4885KDM4E 3528/4885

“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.

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