SCHEMBL719296

SCHEMBL719296

O=C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.53
CHRM4 P08173 1/20 0.53
CHRM5 P08912 1/20 0.53
CHRM3 P20309 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KCNH2 Q12809 3/20 0.45
OPRK1 P41145 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 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
SCHEMBL19364501 1.00 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM3ALKBH5
SCHEMBL707808 1.00 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM3ALKBH5
SCHEMBL16766368 1.00 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM3ALKBH5
SCHEMBL29691892 1.00 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM3ALKBH5
Hydrochloric Acid SCHEMBL1633577 0.98 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM3ALKBH5
SCHEMBL12902953 0.93 KMT2A (0.51) CHRM2CHRM4CHRM5CHRM3SIGMAR1
SCHEMBL15425873 0.93 KMT2A (0.51) CHRM2CHRM4CHRM5CHRM3SIGMAR1
SCHEMBL911191 0.93 KMT2A (0.51) CHRM2CHRM4CHRM5CHRM3SIGMAR1
SCHEMBL6153627 0.92 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM3ALKBH5
Hydrochloric Acid SCHEMBL18063 0.91 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739066-B2 Method for fluoroalkylation of enamines ARXADA AG (CH) 2023-08-29 US disclosed
US-11739066-B2 Method for fluoroalkylation of enamines ARXADA AG (CH) 2023-08-29 US disclosed
US-20220204464-A1 Method for Fluoroalkylation of Enamines LONZA LTD (CH) 2022-06-30 US disclosed
WO-2020249759-A1 METHOD FOR FLUOROALKYLATION OF ENAMINES LONZA LTD (CH) 2020-12-17 WO disclosed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 US disclosed
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-09-10 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-7939527-B2 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2011-05-10 US disclosed
EP-2268646-A2 THIAZOLOPYRIDIN-2-YLOXY-PHENYL AND THIAZOLOPYRAZIN-2-YLOXY-PHENYL AMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2011-01-05 EP disclosed
WO-2010132599-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO disclosed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US disclosed
US-7625891-B2 Heterocylic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
WO-2009126806-A2 THIAZOLOPYRIDIN-2-YLOXY-PHENYL AND THIAZOLOPYRAZIN-2-YLOXY-PHENYL AMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2009-10-15 WO disclosed
US-20090258854-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2009-10-15 US disclosed
US-20090062331-A1 DEUTERIUM-ENRICHED MARAVIROC PROTIA, LLC (US) 2009-03-05 US disclosed
US-20090062331-A1 DEUTERIUM-ENRICHED MARAVIROC PROTIA, LLC (US) 2009-03-05 US disclosed
US-20080249087-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-10-09 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 (11 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-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 CHRM2 3987/4885CHRM4 3932/4885CHRM5 3886/4885
US-10407441-B2 Compositions and methods for treating neoplasia, inflammatory disease and other disorders BRPF3, EP300, BRD3 CHRM2 3998/4885CHRM4 4016/4885CHRM5 3831/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 CHRM2 3837/4885CHRM4 4245/4885CHRM5 3357/4885
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R CHRM2 2977/4885CHRM4 836/4885CHRM5 3141/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 CHRM2 3837/4885CHRM4 4245/4885CHRM5 3357/4885
US-20090258854-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase LTA4H, LTC4S, LTB4R2 CHRM2 1915/4885CHRM4 795/4885CHRM5 2325/4885
US-11739066-B2 Method for fluoroalkylation of enamines HNMT, PNMT, INMT CHRM2 1456/4885CHRM4 836/4885CHRM5 517/4885
US-20080249087-A1 Heterocylic antiviral compounds CCR5, CCR1, CXCR1 CHRM2 94/4885CHRM4 239/4885CHRM5 180/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 CHRM2 3998/4885CHRM4 4016/4885CHRM5 3831/4885
US-20220204464-A1 Method for Fluoroalkylation of Enamines HNMT, PNMT, INMT CHRM2 1456/4885CHRM4 836/4885CHRM5 517/4885
US-20090062331-A1 DEUTERIUM-ENRICHED MARAVIROC SAMHD1, HDHD5, HSD17B3 CHRM2 4229/4885CHRM4 3801/4885CHRM5 3166/4885

“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.