SCHEMBL378022

SCHEMBL378022

CC(=O)N1CCN(CC[O])CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PIK3CD O00329 1/20 0.55
DRD3 P35462 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
KDM1A O60341 2/20 0.45
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTR7 P34969 4/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL23823660 0.88 CYP1A2 (0.64) CYP1A2TDP1PIK3CDDRD3HRH3
SCHEMBL1097491 0.87 CYP1A2 (0.52) CYP1A2TDP1PIK3CDDRD3HRH3
SCHEMBL1098390 0.85 PIK3CD (0.50) CYP1A2TDP1PIK3CDDRD3HRH3
SCHEMBL20961902 0.84 CYP1A2 (0.54) CYP1A2TDP1PIK3CDDRD3HRH3
SCHEMBL2619225 0.82 CYP1A2 (0.56) CYP1A2TDP1PIK3CDDRD3HRH3
SCHEMBL297533 0.82 CYP1A2 (0.56) CYP1A2TDP1PIK3CDDRD3HRH3
SCHEMBL1259582 0.81 PIK3CD (0.59) CYP1A2TDP1PIK3CDDRD3HRH3
Hydrochloric Acid SCHEMBL20261838 0.80 CYP1A2 (0.54) CYP1A2TDP1PIK3CDDRD3HRH3
SCHEMBL13589531 0.80 CYP1A2 (0.54) CYP1A2TDP1PIK3CDDRD3HRH3
SCHEMBL296688 0.80 CYP1A2 (0.54) CYP1A2TDP1PIK3CDDRD3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2020-07-02 US claimed
US-20190211030-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Hongyun Biotech Co., Ltd. (CN) 2019-07-11 US claimed
EP-3498716-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATIONS Hongyun Biotech Co., Ltd. (CN) 2019-06-19 EP claimed
US-9238640-B2 Anti-inflammatory agents RESVERLOGIX CORP. (CA) 2016-01-19 US claimed
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 claimed
US-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION RVX THERAPEUTICS INC. (CA) 2013-10-24 US claimed
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 US claimed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 EP claimed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP claimed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 WO claimed
EP-1163212-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP claimed
EP-1163237-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP claimed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP claimed
EP-1102750-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES AstraZeneca AB (SE) 2001-05-30 EP claimed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP claimed
WO-2000055120-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO claimed
WO-2000055153-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO claimed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO claimed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 WO claimed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20130281399-A1 TREATMENT OF DISEASES BY EPIGENETIC REGULATION PHKB, BAZ2A, EP300 CYP1A2 4765/4885TDP1 645/4885PIK3CD 1981/4885
US-20190211030-A1 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 CYP1A2 1209/4885TDP1 1408/4885PIK3CD 96/4885
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 CYP1A2 3585/4885TDP1 2692/4885PIK3CD 3348/4885
US-20200207779-A2 THIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ALK, MET, TIE1 CYP1A2 1209/4885TDP1 1408/4885PIK3CD 96/4885

“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.