SCHEMBL25352132

SCHEMBL25352132

C=CC1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.44
▸ POLB P06746 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PREP P48147 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL25352128 1.00 ACE (0.44) ACEPOLBTDP1L3MBTL1OPRM1
SCHEMBL5243620 0.87 ACE (0.46) ACEPOLBTDP1L3MBTL1MEN1
SCHEMBL3898933 0.87 ACE (0.46) ACEPOLBTDP1L3MBTL1MEN1
SCHEMBL17559354 0.87 ACE (0.46) ACEPOLBTDP1L3MBTL1MEN1
SCHEMBL3917500 0.80 NAMPT (0.44) ACEPOLBOPRD1MEN1KMT2A
SCHEMBL30167028 0.80 NAMPT (0.44) ACEPOLBOPRD1MEN1KMT2A
SCHEMBL3917502 0.80 NAMPT (0.44) ACEPOLBOPRD1MEN1KMT2A
SCHEMBL30167045 0.80 NAMPT (0.44) ACEPOLBOPRD1MEN1KMT2A
SCHEMBL8908771 0.78 ACE (0.61) ACEPOLBTDP1L3MBTL1LMNA
SCHEMBL3840630 0.78 ACE (0.61) ACEPOLBTDP1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728938-B Tetrahydroisoquinoline spiro compounds as PRMT5 inhibitors 南京再明医药有限公司 2024-05-24 — — CN disclosed
US-20230250108-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AND USE THEREOF NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-08-10 — — US disclosed
EP-4174064-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AND USE THEREOF Jiangsu Simcere Pharmaceutical Co., Ltd. (CN) 2023-05-03 — — EP 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 (1 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-20230250108-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AND USE THEREOF PRMT5, PRMT1, PRMT3 ACE 2318/4885POLB 3336/4885TDP1 935/4885

“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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