SCHEMBL1239686

SCHEMBL1239686

NC(c1ccccc1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.53
ALDH1A1 P00352 4/20 0.50
GRM5 P41594 1/20 0.49
CYP3A4 P08684 4/20 0.46
CYP2C19 P33261 3/20 0.46
TSHR P16473 1/20 0.46
HIF1A Q16665 1/20 0.45
LMNA P02545 1/20 0.45
HSP90AA1 P07900 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
DPP4 P27487 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
SCHEMBL27638670 0.82 ALDH1A1 (0.40) KCNA5ALDH1A1GRM5TSHRHTT
SCHEMBL27845240 0.82 ALDH1A1 (0.44) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL506316 0.81 CYP2D6 (0.61) KCNA5CYP3A4CYP2C19TSHRLMNA
SCHEMBL7854201 0.81 SMN1; SMN2 (0.45) ALDH1A1GRM5CYP2C19TSHRLMNA
SCHEMBL27569069 0.81 ALDH1A1 (0.39) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL28756270 0.80 ALDH1A1 (0.40) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL14773209 0.79 CYP3A4 (0.61) KCNA5ALDH1A1CYP3A4CYP2C19TSHR
SCHEMBL4610816 0.79 GRM5 (0.71) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL2793637 0.79 ALDH1A1 (0.67) KCNA5ALDH1A1GRM5CYP3A4CYP2C19
SCHEMBL27850040 0.79 ALDH1A1 (0.44) KCNA5ALDH1A1CYP3A4CYP2C19TSHR

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
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 US disclosed
US-20110086860-A1 COMPOUND KIMURA TEIJI 2011-04-14 US disclosed
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US disclosed
EP-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP disclosed
US-7687640-B2 Cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7667041-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 US disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 US disclosed
CN-1231464-C Novel 3-substituted urea derivatives and pharmaceutical use thereof MITSUBISHI PHARMACEUTICAL CO L (JP) 2005-12-14 CN disclosed
CN-1466569-A Novel 3-substituted urea derivatives and pharmaceutical use thereof ������ҩ��ʽ���� 2004-01-07 CN 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 (7 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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 KCNA5 1819/4885ALDH1A1 3613/4885GRM5 730/4885
US-20110086860-A1 COMPOUND ARRB1, NR3C2, ADRA2C KCNA5 1123/4885ALDH1A1 149/4885GRM5 1967/4885
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 KCNA5 3066/4885ALDH1A1 451/4885GRM5 2009/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 KCNA5 1819/4885ALDH1A1 3613/4885GRM5 730/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 KCNA5 3939/4885ALDH1A1 144/4885GRM5 3138/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 KCNA5 1458/4885ALDH1A1 58/4885GRM5 2336/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 KCNA5 3436/4885ALDH1A1 1375/4885GRM5 3868/4885

“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.