SCHEMBL21157246

SCHEMBL21157246

O=c1onc(CCc2cccc(Br)c2)o1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.45
▸ BACE1 P56817 1/20 0.42
▸ PARP1 P09874 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ AGXT P21549 2/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL22190352 0.91 TAAR1 (0.42) TAAR1BACE1PARP1GPR84IDO1
SCHEMBL22554350 0.80 NPC1 (0.49) ALDH1A1MAPTTSHRMAPK1RECQL
SCHEMBL21157261 0.78 TAAR1 (0.49) TAAR1ALDH1A1
SCHEMBL21121434 0.77 HDAC1 (0.35) —
SCHEMBL4399626 0.74 TAAR1 (0.74) TAAR1BACE1PARP1IDO1AGXT
SCHEMBL28412859 0.74 TDP2 (0.33) TSHR
SCHEMBL21149335 0.72 SIRT2 (0.38) TAAR1ALDH1A1MAPK1
SCHEMBL22190361 0.71 ATM (0.42) ALDH1A1MAPTMAOAMAOB
SCHEMBL21157240 0.71 ALDH1A1 (0.51) TAAR1ALDH1A1
SCHEMBL21121457 0.71 ESR1 (0.48) TAAR1BACE1ALDH1A1

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 5 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-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
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 4408/4885BACE1 196/4885PARP1 765/4885
US-11046661-B2 Method for producing lactam compound, and lactam compound produced thereby SQLE, COASY, DHPS TAAR1 4408/4885BACE1 196/4885PARP1 765/4885

“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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