SCHEMBL3044522

SCHEMBL3044522

OB(O)c1cc(-c2ccccc2)nn1C1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
ATR Q13535 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ELOVL1 Q9BW60 1/20 0.35
ADORA1 P30542 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL27037194 0.81 CNR1 (0.40) CNR1CNR2RXRARXRBRXRG
SCHEMBL21187503 0.81 CYP4F2 (0.43) CNR1CNR2RXRARXRBRXRG
SCHEMBL25407969 0.79 RET (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL3433705 0.79 CNR1 (0.38) CNR1CNR2RXRARXRBRXRG
SCHEMBL21185042 0.79 RET (0.39) CNR1CNR2RXRARXRBRXRG
SCHEMBL3037205 0.78 CYP4F2 (0.42) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL3623334 0.77 RXRA (0.40) CNR1CNR2RXRARXRBRXRG
SCHEMBL3039870 0.74 CYP4F2 (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL2215449 0.73 CYP4F2 (0.47) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL2593255 0.72 CNR1 (0.35) CNR1CNR2RXRARXRBRXRG

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
US-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES INC (US) 2023-11-02 US disclosed
EP-4182320-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2023-05-24 EP disclosed
WO-2022020342-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2022-01-27 WO disclosed
EP-2210880-B1 Benzoxazinone derivatives MSD KK (JP) 2015-08-26 EP disclosed
US-8314094-B2 Benzoxazinone derivative MSD K.K (JP) 2012-11-20 US disclosed
US-20100210636-A1 BENZOXAZINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. 2010-08-19 US disclosed
EP-2210880-A1 BENZOXAZINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-07-28 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 (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-20230348439-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS AR, FSHR, NR5A1 CNR1 165/4885CNR2 238/4885RXRA 692/4885
US-20100210636-A1 BENZOXAZINONE DERIVATIVE HAX1, CYP4X1, CYP19A1 CNR1 301/4885CNR2 562/4885RXRA 352/4885

“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.