Sugi Predict

Sugi Predict / Compounds / SCHEMBL3389553

SCHEMBL3389553

SCHEMBL3389553

CCc1cnc(-c2ccc(C)nc2C(=O)O)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 5/20 0.40
▸ HCRTR1 O43613 2/20 0.40
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GABRP O00591 2/20 0.33
▸ GABRD O14764 2/20 0.33
▸ GABRA1 P14867 2/20 0.33
▸ GABRB1 P18505 2/20 0.33
▸ GABRG2 P18507 2/20 0.33
▸ GABRB3 P28472 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRA3 P34903 2/20 0.33
▸ GABRA2 P47869 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ GABRA4 P48169 2/20 0.33
▸ GABRE P78334 2/20 0.33
▸ GABRA6 Q16445 2/20 0.33
▸ GABRG1 Q8N1C3 2/20 0.33

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
SCHEMBL2493515 0.83 HCRTR1 (0.54) HCRTR2HCRTR1KMT2AGAANPC1
SCHEMBL608759 0.77 METAP2 (0.32) P2RY12KDM4EALDH1A1HPGD
SCHEMBL609352 0.77 APOBEC3A (0.32) HCRTR2HCRTR1NPC1RAB9ALMNA
SCHEMBL16031447 0.73 HCRTR2 (0.44) HCRTR2HCRTR1KDM4EHDAC4ALDH1A1
SCHEMBL2496569 0.73 GAA (0.39) HCRTR2HCRTR1KMT2AGAAGABRP
SCHEMBL16042101 0.71 HCRTR2 (0.41) HCRTR2HCRTR1KDM4EALDH1A1TSHR
SCHEMBL609369 0.70 KMT2A (0.47) HCRTR2HCRTR1KMT2AGAANPC1
SCHEMBL6269767 0.69 GABRP (0.41) KMT2AGAANPC1RAB9AGABRP
SCHEMBL30775053 0.69 HCRTR2 (0.42) HCRTR2HCRTR1KMT2AMEN1HDAC1
SCHEMBL2471955 0.69 HCRTR2 (0.42) HCRTR2HCRTR1KMT2AMEN1HDAC1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 — — US disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 — — US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 — — US disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 — — US disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 — — WO disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 — — US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 — — US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 — — 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 (3 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-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 HCRTR2 1/4885HCRTR1 2/4885KMT2A 1233/4885
US-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B HCRTR2 1425/4885HCRTR1 2016/4885KMT2A 1395/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR2 1/4885HCRTR1 2/4885KMT2A 1244/4885

“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.