SCHEMBL1053918

SCHEMBL1053918

[CH2]C(c1cccnc1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.53
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 1/20 0.50
KCNH2 Q12809 2/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
P2RX7 Q99572 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.44
THRB P10828 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
SCHEMBL16464206 0.80 P2RX7 (0.38) KCNA5ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL5114145 0.80 ALDH1A1 (0.44) KCNA5ALDH1A1KDM4ECYP3A4CYP2C19
SCHEMBL1240803 0.79 KCNA5 (0.52) KCNA5ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL855649 0.79 KCNA5 (0.53) KCNA5ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5000351 0.79 KCNA5 (0.53) KCNA5ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5027031 0.77 KCNA5 (0.50) KCNA5ALDH1A1KDM4EHSD17B10KCNH2
SCHEMBL22639946 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10CYP3A4CYP2C9
SCHEMBL22958209 0.77 ALDH1A1 (0.62) KCNA5ALDH1A1KDM4EHSD17B10CYP3A4
SCHEMBL9363512 0.77 ALDH1A1 (0.56) KCNA5ALDH1A1SMN1; SMN2
SCHEMBL2570964 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3363788-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2018-08-22 EP claimed
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-06-27 US claimed
US-20120214766-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2012-08-23 US claimed
EP-2470508-A1 CANNABINOID RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2012-07-04 EP claimed
WO-2011025541-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2011-03-03 WO claimed
US-20100298328-A1 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes VITAE PHARMACEUTICALS, INC 2010-11-25 US claimed
WO-2007123718-A1 1-HETEROCYCLYLAMINO-2-HYDROXY-3-AMINO-ω-ARYLALKANES VITAE PHARMACEUTICALS, INC. (US) 2007-11-01 WO claimed
US-11771695-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-10-03 US disclosed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
US-20220241274-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2022-08-04 US disclosed
CN-109970708-B Cannabinoid receptor modulators 艾尼纳制药公司 2022-06-21 CN disclosed
US-11214548-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2022-01-04 US disclosed
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2021-06-24 US disclosed
WO-2005082340-A2 MODULATION OF INFLAMMATORY AND METASTATIC PROCESSES CHIRON CORPORATION (US) 2005-09-09 WO disclosed
US-20050137399-A1 A lithium-free reaction to produce a substituted/unsubstituted 4-amino-3-benzimidazol-2-yl-quinolin-2-one compound by reacting a 2-aminobenzonitrile with a 2-alkyloxycarbonylmethyl-benzimidazole in a solvent in the presence of a sodium or potassium salt of a base; excellent yields CHIRON CORPORATION 2005-06-23 US disclosed
EP-1539754-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF Chiron Corporation (US) 2005-06-15 EP disclosed
WO-2005046590-A2 METHODS FOR SYNTHESIZING QUINOLINONE COMPOUNDS CHIRON CORPORATION (US) 2005-05-26 WO disclosed
WO-2005047244-A2 INHIBITION OF FGFR3 AND TREATMENT OF MULTIPLE MYELOMA CHIRON CORPORATION (US) 2005-05-26 WO disclosed
US-20040092535-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2004-05-13 US disclosed
WO-2004018419-A2 BENZIMIDAZOLE QUINOLINONES AND USES THEREOF CHIRON CORPORATION (US) 2004-03-04 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 (10 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-20120214766-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 KCNA5 704/4885ALDH1A1 3623/4885KDM4E 3533/4885
US-20100298328-A1 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes REN, AGTR1, AGTR2 KCNA5 878/4885ALDH1A1 189/4885KDM4E 3554/4885
US-20050137399-A1 A lithium-free reaction to produce a substituted/unsubstituted 4-amino-3-benzimidazol-2-yl-quinolin-2-one compound by reacting a 2-aminobenzonitrile with a 2-alkyloxycarbonylmethyl-benzimidazole in a solvent in the presence of a sodium or potassium salt of a base; excellent yields KCNJ2, KCNN2, KCNN1 KCNA5 38/4885ALDH1A1 2263/4885KDM4E 691/4885
US-20040092535-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 KCNA5 4078/4885ALDH1A1 152/4885KDM4E 2562/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 KCNA5 704/4885ALDH1A1 3623/4885KDM4E 3533/4885
US-11214548-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 KCNA5 704/4885ALDH1A1 3623/4885KDM4E 3533/4885
US-20220241274-A1 CANNABINOID RECEPTOR MODULATORS CNR2, CNR1, OPRL1 KCNA5 874/4885ALDH1A1 2692/4885KDM4E 3391/4885
US-20210188781-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 KCNA5 704/4885ALDH1A1 3623/4885KDM4E 3533/4885
US-11771695-B2 Cannabinoid receptor modulators CNR2, CNR1, OPRL1 KCNA5 874/4885ALDH1A1 2692/4885KDM4E 3391/4885
US-20130165412-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, TRPV1 KCNA5 704/4885ALDH1A1 3623/4885KDM4E 3533/4885

“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.