SCHEMBL21157861

SCHEMBL21157861

COc1cccc(Cc2noc(=O)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 2/20 0.48
▸ CNR1 P21554 2/20 0.48
▸ CMA1 P23946 1/20 0.47
▸ PTK2 Q05397 1/20 0.46
▸ VKORC1 Q9BQB6 1/20 0.46
▸ CNR2 P34972 3/20 0.45
▸ CHRM2 P08172 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ IDH1 O75874 2/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ AGXT P21549 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DAO P14920 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ DHFR P00374 1/20 0.42

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
SCHEMBL21157261 0.87 TAAR1 (0.49) CMA1CHRM2CHRM1CHRM3DAO
SCHEMBL22554354 0.86 DHFR (0.45) CHRM2CHRM1CHRM3SMN1; SMN2DHFR
SCHEMBL22554349 0.82 ALDH1A1 (0.54) CMA1PTK2POLBSMN1; SMN2NPC1
SCHEMBL22554348 0.81 RAB9A (0.46) POLBSMN1; SMN2DAOTAAR1NPC1
SCHEMBL22554383 0.78 CA2 (0.54) POLBSMN1; SMN2RAB9A
SCHEMBL30866427 0.78 CA2 (0.54) POLBSMN1; SMN2RAB9A
SCHEMBL30866421 0.78 DAO (0.43) PTK2DAOTAAR1NPC1RAB9A
SCHEMBL22554359 0.78 DAO (0.43) PTK2DAOTAAR1NPC1RAB9A
SCHEMBL34460859 0.76 MEN1 (0.49) GPR55SMN1; SMN2NPC1RAB9A
SCHEMBL21729201 0.74 PLA2G2A (0.51) GPR55CNR1CMA1CNR2IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 GPR55 1758/4885CNR1 2040/4885CMA1 2491/4885
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby SQLE, COASY, DHPS GPR55 1758/4885CNR1 2040/4885CMA1 2491/4885

“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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