SCHEMBL29477756

SCHEMBL29477756

C[C@@H]1CCC[C@H](c2ccccc2)N1C(=O)C(=O)[O-].[Na+]

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.54
▸ WDR77 Q9BQA1 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ RIPK1 Q13546 4/20 0.43
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 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
SCHEMBL24367528 0.87 PRMT5 (0.57) PRMT5WDR77ALDH1A1GLAHPGD
SCHEMBL25324576 0.84 PRMT5 (0.58) PRMT5WDR77ALDH1A1GLAHPGD
SCHEMBL25324578 0.84 PRMT5 (0.58) PRMT5WDR77ALDH1A1GLAHPGD
Ammonia Solution, Strong SCHEMBL25323733 0.83 PRMT5 (0.57) PRMT5WDR77ALDH1A1GLAHPGD
Ammonia Solution, Strong SCHEMBL25323728 0.83 PRMT5 (0.57) PRMT5WDR77ALDH1A1GLAHPGD
SCHEMBL24366978 0.82 PRMT5 (0.56) PRMT5WDR77ALDH1A1GLAHPGD
SCHEMBL24366650 0.82 PRMT5 (0.56) PRMT5WDR77ALDH1A1GLAHPGD
SCHEMBL5516152 0.78 PRMT5 (0.52) PRMT5WDR77ALDH1A1GLAHPGD
Lithium Ion SCHEMBL30470138 0.77 PRMT5 (0.54) PRMT5WDR77RIPK1CHRNB2CHRNB4
SCHEMBL25322230 0.75 PRMT5 (0.47) PRMT5WDR77ALDH1A1GLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 — — US disclosed
US-12304907-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-05-20 — — US disclosed
US-12264154-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-04-01 — — US disclosed
US-20240279219-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-08-22 — — US disclosed
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 — — EP disclosed
US-20230113778-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2023-04-13 — — US disclosed
US-11492350-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2022-11-08 — — US disclosed
US-20220127256-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2022-04-28 — — 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 (7 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-20240279219-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 PRMT5 347/4885WDR77 1263/4885ALDH1A1 128/4885
US-11492350-B2 Compounds and methods of use F12, C1R, ABCG2 PRMT5 347/4885WDR77 1263/4885ALDH1A1 128/4885
US-20230113778-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 PRMT5 347/4885WDR77 1263/4885ALDH1A1 128/4885
US-12264154-B2 Compounds and methods of use F12, C1R, ABCG2 PRMT5 347/4885WDR77 1263/4885ALDH1A1 128/4885
US-12304907-B2 Compounds and methods of use F12, C1R, ABCG2 PRMT5 347/4885WDR77 1263/4885ALDH1A1 128/4885
US-20220127256-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 PRMT5 347/4885WDR77 1263/4885ALDH1A1 128/4885
US-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 PRMT5 3142/4885WDR77 3960/4885ALDH1A1 100/4885

“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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