SCHEMBL6646352

SCHEMBL6646352

CCOC(=O)CCCCCc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.56
CYP4A11 Q02928 2/20 0.56
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HRH1 P35367 1/20 0.50
TBXAS1 P24557 3/20 0.48
TLR2 O60603 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HDAC6 Q9UBN7 3/20 0.44
HDAC1 Q13547 2/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44

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
SCHEMBL2964336 0.99 CYP4F2 (0.57) CYP4F2CYP4A11LMNACYP1A2CYP2C19
SCHEMBL1859504 0.94 CYP1A2 (0.57) CYP4F2CYP4A11LMNACYP1A2CYP2C19
SCHEMBL4341122 0.88 LMNA (0.57) CYP4F2CYP4A11LMNACYP1A2CYP2C19
SCHEMBL6643882 0.85 SMN1; SMN2 (0.55) LMNACYP1A2CYP2C19SMN1; SMN2HRH1
SCHEMBL11174442 0.84 CYSLTR2 (0.49) CYP4F2CYP4A11LMNATBXAS1ALDH1A1
SCHEMBL2959192 0.84 SMN1; SMN2 (0.47) CYP4F2CYP4A11CYP1A2CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL10659395 0.82 DGKA (0.55) LMNACYP1A2CYP2C19SMN1; SMN2TLR2
SCHEMBL2955452 0.82 SMN1; SMN2 (0.48) CYP4F2CYP4A11CYP1A2CYP2C19SMN1; SMN2
Ethyl Acetate SCHEMBL8398014 0.82 HRH1 (0.49) LMNACYP1A2CYP2C19SMN1; SMN2HRH1
SCHEMBL6245103 0.80 CYP1A2 (0.58) LMNACYP1A2CYP2C19SMN1; SMN2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250510-B2 Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations TOTAL SYNTHESIS, LTD. (CA) 2007-07-31 US disclosed
US-7250510-B2 Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations TOTAL SYNTHESIS, LTD. (CA) 2007-07-31 US disclosed
US-20070073055-A1 Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations TOTAL SYNTHESIS, LTD. (CA) 2007-03-29 US disclosed
US-20070073055-A1 Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations TOTAL SYNTHESIS, LTD. (CA) 2007-03-29 US disclosed
CN-1224624-C 1, 8-naphthyridin-2 (1H) -one derivatives GRELAN PHARMACEUTICAL CO (JP) 2005-10-26 CN disclosed
EP-1236725-B1 NOVEL 1,8-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES GRELAN PHARMACEUTICAL CO (JP) 2004-03-10 EP disclosed
US-6642250-B2 As phosphodiesterase inhibitor for prophylaxis and therapy of bronchial asthma; pneumonic diseases, pulmonary emphysema, chronic obstructive pulmonary disease acute respiratory distress syndrome (ARDS), and other respiratory diseases GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
CN-1407984-A Novel 1, 8-naphthyridin-2 (1H) -one derivatives GRELAN PHARMACEUTICAL CO (JP) 2003-04-02 CN disclosed
US-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-02-20 US disclosed
EP-1236725-A1 NOVEL 1,8-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES Grelan Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP 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-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives PDE3B, PDE4A, PDE4B CYP4F2 705/4885CYP4A11 32/4885LMNA 2801/4885
US-20070073055-A1 Transition metal complexes of N-heterocyclic carbenes, method of preparation and use in transition metal catalyzed organic transformations NDC1, NBAS, NUDC CYP4F2 218/4885CYP4A11 570/4885LMNA 1075/4885

“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.