SCHEMBL21157261

SCHEMBL21157261

COc1cccc(CCc2noc(=O)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.49
▸ DAO P14920 1/20 0.48
▸ CHRM2 P08172 3/20 0.47
▸ CHRM1 P11229 3/20 0.47
▸ CHRM3 P20309 3/20 0.47
▸ NR3C2 P08235 1/20 0.46
▸ NR1H3 Q13133 3/20 0.46
▸ NR1H2 P55055 1/20 0.46
▸ CMA1 P23946 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.44
▸ AOC3 Q16853 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43

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
SCHEMBL21157861 0.87 GPR55 (0.48) TAAR1DAOCHRM2CHRM1CHRM3
SCHEMBL21157986 0.82 RAB9A (0.48) TAAR1DAONR3C2NR1H3ALDH1A1
SCHEMBL21156703 0.79 CYP19A1 (0.49) DAONR1H3NR1H2AOC3ALDH1A1
SCHEMBL30866423 0.79 CYP19A1 (0.49) DAONR1H3NR1H2AOC3ALDH1A1
SCHEMBL21157246 0.78 TAAR1 (0.45) TAAR1ALDH1A1
SCHEMBL22554350 0.77 NPC1 (0.49) DAOALDH1A1
SCHEMBL30080050 0.76 TAAR1 (0.77) TAAR1DAOCHRM2CHRM1CHRM3
SCHEMBL723511 0.76 TAAR1 (0.77) TAAR1DAOCHRM2CHRM1CHRM3
SCHEMBL21122490 0.76 PTPN1 (0.54) TAAR1ALDH1A1MTNR1AMTNR1B
SCHEMBL21121172 0.76 POLB (0.51) MTNR1AMTNR1B

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
CN-111587239-B Method for producing lactam compound and lactam compound produced by the method 基础科学研究院 2024-04-02 — — CN disclosed
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby INSTITUTE FOR BASIC SCIENCE (KR) 2021-06-29 — — US disclosed
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby INSTITUTE FOR BASIC SCIENCE (KR) 2021-06-29 — — US disclosed
US-20200331871-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY INSTITUTE FOR BASIC SCIENCE (KR) 2020-10-22 — — US disclosed
US-20200331871-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY INSTITUTE FOR BASIC SCIENCE (KR) 2020-10-22 — — US disclosed
CN-111587239-A Method for producing lactam compound and lactam compound produced by same 基础科学研究院 2020-08-25 — — CN disclosed
WO-2019135604-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY 기초과학연구원 2019-07-11 — — 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 (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-20200331871-A1 METHOD FOR PRODUCING LACTAM COMPOUND, AND LACTAM COMPOUND PRODUCED THEREBY SQLE, COASY, DHPS TAAR1 4408/4885DAO 7/4885CHRM2 4413/4885
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby SQLE, COASY, DHPS TAAR1 4408/4885DAO 7/4885CHRM2 4413/4885

“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.

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