SCHEMBL377716

SCHEMBL377716

O=Cc1ccc2[nH]c(CN3CCCC3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.44
▸ DRD2 P14416 8/20 0.43
▸ DRD3 P35462 8/20 0.43
▸ DRD4 P21917 6/20 0.43
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ CYP2A6 P11509 2/20 0.41
▸ PABPC1 P11940 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ ALDH1A3 P47895 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL5917599 0.79 CHEK1 (0.52) HRH4HRH3DRD2DRD3DRD4
SCHEMBL378017 0.78 CHEK1 (0.54) HRH4HRH3DRD2DRD3DRD4
SCHEMBL5793647 0.75 HRH4 (0.47) HRH4HRH3DRD2DRD3DRD4
SCHEMBL378037 0.75 CYP2A6 (0.47) CYP2A6SMN1; SMN2KDM4E
SCHEMBL7052511 0.75 HRH4 (0.74) HRH4HRH3DRD2DRD3ALDH1A1
SCHEMBL30813284 0.75 HRH4 (0.74) HRH4HRH3DRD2DRD3ALDH1A1
SCHEMBL5917615 0.75 HRH3 (0.52) HRH4HRH3DRD2DRD3DRD4
SCHEMBL4896453 0.74 HRH4 (0.72) HRH4HRH3DRD2DRD3ALDH1A1
SCHEMBL31010169 0.74 HRH4 (0.72) HRH4HRH3DRD2DRD3ALDH1A1
SCHEMBL376513 0.73 CYP2A6 (0.45) CYP2A6SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006035308-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-04-06 — — WO claimed
US-20060069087-A1 Histamine-3 receptor antagonists PFIZER INC 2006-03-30 — — US claimed
EP-2408454-B1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP (CA) 2024-07-24 — — EP disclosed
US-11407719-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2022-08-09 — — US disclosed
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2021-03-11 — — US disclosed
US-10882828-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2021-01-05 — — US disclosed
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2019-04-25 — — US disclosed
US-10131640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2018-11-20 — — US disclosed
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2016-05-19 — — US disclosed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 — — US disclosed
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 — — WO disclosed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 — — US disclosed
CN-102427813-A Novel anti-inflammatory agents RESVERLOGIX CORP 2012-04-25 — — CN disclosed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 — — US disclosed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 — — EP disclosed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 — — WO disclosed
WO-2006035308-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-04-06 — — WO disclosed
US-20060069087-A1 Histamine-3 receptor antagonists PFIZER INC 2006-03-30 — — 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 (9 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-11407719-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 HRH4 1745/4885HRH3 1620/4885DRD2 2081/4885
US-20160137613-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 HRH4 1566/4885HRH3 1540/4885DRD2 2088/4885
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 HRH4 3362/4885HRH3 2586/4885DRD2 4510/4885
US-10882828-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 HRH4 1745/4885HRH3 1620/4885DRD2 2081/4885
US-20210070716-A1 ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 HRH4 1745/4885HRH3 1620/4885DRD2 2081/4885
US-10131640-B2 Anti-inflammatory agents VCAM1, ICAM1, IL6 HRH4 1745/4885HRH3 1620/4885DRD2 2081/4885
US-20060069087-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 HRH4 2/4885HRH3 1/4885DRD2 128/4885
US-20190119222-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 HRH4 1566/4885HRH3 1540/4885DRD2 2088/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 HRH4 1566/4885HRH3 1540/4885DRD2 2088/4885

“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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