SCHEMBL3589162

SCHEMBL3589162

COc1ccc2c(c1)C(N)CC(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
HTR1A P08908 2/20 0.46
MAPT P10636 6/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTR7 P34969 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
TSHR P16473 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRA2A P08913 1/20 0.38

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
Hydrochloric Acid SCHEMBL6559487 0.98 HTR2B (0.45) HTR2BSIGMAR1HTR1AMAPTALDH1A1
SCHEMBL3578838 0.88 MAPT (0.47) HTR2BSIGMAR1HTR1AMAPTALDH1A1
SCHEMBL25659983 0.83 MAPT (0.45) HTR2BSIGMAR1HTR1AMAPTALDH1A1
SCHEMBL7470852 0.82 KCNE1 (0.47) HTR2BSIGMAR1HTR1AMAPTALDH1A1
SCHEMBL21949769 0.82 MAPT (0.44) HTR2BSIGMAR1HTR1AMAPTALDH1A1
SCHEMBL618191 0.81 HTR2B (0.40) HTR2BSIGMAR1HTR1AMAPTALDH1A1
Hydrochloric Acid SCHEMBL6558668 0.81 CA2 (0.37) MAPTALDH1A1HTTTAAR1SMN1; SMN2
SCHEMBL11246000 0.80 HTR2B (0.40) HTR2BSIGMAR1HTR1AMAPTHTT
SCHEMBL7479500 0.80 HTR2C (0.42) HTR2BSIGMAR1HTR1AHTTSMN1; SMN2
SCHEMBL6601951 0.79 MAOB (0.53) HTR2BSIGMAR1MAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174492-A1 SUBSTITUTED CONDENSED AZINES AS ANTHELMINTIC COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2023-06-08 US disclosed
US-20230141809-A1 QUINOLINE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2023-05-11 US disclosed
US-11572357-B2 Quinoline derivatives BAYER ANIMAL HEALTH GMBH (DE) 2023-02-07 US disclosed
US-20210139468-A1 NEW QUINOLINE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2021-05-13 US disclosed
US-20210115026-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2021-04-22 US disclosed
US-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 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 (6 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-20210139468-A1 NEW QUINOLINE DERIVATIVES RECQL, QTRT2, NQO2 HTR2B 1205/4885SIGMAR1 702/4885HTR1A 967/4885
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S HTR2B 1712/4885SIGMAR1 832/4885HTR1A 2353/4885
US-20230141809-A1 QUINOLINE DERIVATIVES RECQL, NQO2, QTRT2 HTR2B 1050/4885SIGMAR1 955/4885HTR1A 918/4885
US-20210115026-A1 NEW ANTHELMINTIC QUINOLINE-3-CARBOXAMIDE DERIVATIVES HRH4, HRH2, HRH1 HTR2B 1192/4885SIGMAR1 1066/4885HTR1A 844/4885
US-11572357-B2 Quinoline derivatives RECQL, NQO2, QTRT2 HTR2B 1087/4885SIGMAR1 965/4885HTR1A 950/4885
US-20230174492-A1 SUBSTITUTED CONDENSED AZINES AS ANTHELMINTIC COMPOUNDS H1-5, H1-10, H1-0 HTR2B 1546/4885SIGMAR1 3787/4885HTR1A 329/4885

“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.