Sugi Predict

Sugi Predict / Compounds / SCHEMBL840830

SCHEMBL840830

SCHEMBL840830

O=Cc1ccc(N2CCCCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MAPT P10636 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TRIM24 O15164 1/20 0.52
▸ TRIM33 Q9UPN9 1/20 0.52
▸ CNR2 P34972 5/20 0.50
▸ KCNJ1 P48048 1/20 0.49
▸ ALDH1A3 P47895 3/20 0.46
▸ UBE2T Q9NPD8 1/20 0.46
▸ AOC3 Q16853 1/20 0.45

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
SCHEMBL1735017 0.98 TRIM24 (0.53) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL1569943 0.83 PLD1 (0.49) ALDH1A1KDM4EKCNJ1
SCHEMBL1124372 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL29805413 0.83 PLD1 (0.49) ALDH1A1KDM4EKCNJ1
SCHEMBL2322917 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTKCNJ1
SCHEMBL30287647 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL14235869 0.81 HRH3 (0.42) KCNJ1
SCHEMBL25082374 0.80 KCNJ1 (0.44) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL14235512 0.80 KCNJ1 (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTLMNA
SCHEMBL844318 0.80 KDM4E (0.56) ALDH1A1SMN1; SMN2KDM4EMAPTKCNJ1

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245132-B1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC NO 41424 (GB) 2017-10-18 — — EP claimed
EP-2245132-A1 ENCAPSULATED BENEFIT AGENT Unilever Plc, A Company Registered In England And Wales under company no. 41424 of Unilever House (GB) 2010-11-03 — — EP claimed
WO-2009103576-A1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC (GB) 2009-08-27 — — WO claimed
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 — — EP disclosed
EP-2544679-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2019-05-15 — — EP disclosed
US-10106516-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2018-10-23 — — US disclosed
EP-2245132-B1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC NO 41424 (GB) 2017-10-18 — — EP disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 — — US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 — — US disclosed
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2017-06-01 — — US disclosed
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 — — US disclosed
WO-2010045012-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO [2,3-D] PYRIMIDINES AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 — — WO disclosed
US-20100093722-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-15 — — US disclosed
WO-2010021878-A1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 — — WO disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 — — US disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 — — US disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 — — US disclosed
US-20100040753-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2010-02-18 — — US disclosed
WO-2009105906-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2009-09-03 — — WO disclosed
WO-2009103576-A1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC (GB) 2009-08-27 — — 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 (6 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-20100048589-A1 Cold Menthol Receptor Antagonists TRPV1, TRPM2, TRPM6 ALDH1A1 1175/4885SMN1; SMN2 2862/4885KDM4E 3127/4885
US-10106516-B2 PDE10 inhibitors and related compositions and methods PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885SMN1; SMN2 527/4885KDM4E 2629/4885
US-20100093722-A1 HETEROARYL AND PHENYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS ADORA2A, ADORA3, ADORA2B ALDH1A1 1161/4885SMN1; SMN2 1138/4885KDM4E 3476/4885
US-20100040753-A1 FLAVOR MOLECULES TAS2R30, TAS2R31, TAS2R1 ALDH1A1 683/4885SMN1; SMN2 1125/4885KDM4E 2101/4885
US-20170152238-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A ALDH1A1 2053/4885SMN1; SMN2 527/4885KDM4E 2629/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 ALDH1A1 887/4885SMN1; SMN2 4088/4885KDM4E 1080/4885

“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.