SCHEMBL23748221

SCHEMBL23748221

C=CCOc1c(C(O)c2ccccc2)ccc(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
KAT6A Q92794 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 3/20 0.33
SLC6A4 P31645 2/20 0.33
SLC22A1 O15245 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
TLR4 O00206 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL23748175 0.85 DRD2 (0.36) KAT6AALDH1A1CYP2D6SLC6A4SLC22A1
SCHEMBL24353419 0.84 HTR2C (0.36) HTR2CHTR2BKAT6AALDH1A1CYP2D6
SCHEMBL23856042 0.82 HTR2C (0.32) HTR2CHTR2BTLR4
SCHEMBL23856050 0.80 MAPT (0.34) HTR2CHTR2BALDH1A1TLR4TSHR
SCHEMBL23748225 0.78 ADRB2 (0.39) HTR2CHTR2BKAT6AALDH1A1CYP2D6
SCHEMBL23856039 0.77 HTR2C (0.34) HTR2CHTR2BALDH1A1CYP2D6TLR4
SCHEMBL30219209 0.77 HTR2C (0.34) HTR2CHTR2BALDH1A1CYP2D6TLR4
SCHEMBL23748280 0.77 CXCR5 (0.46) ALDH1A1CYP2D6SLC6A4SLC22A1LMNA
SCHEMBL23856040 0.76 HTR2C (0.31) HTR2CHTR2B
SCHEMBL30219222 0.76 HTR2C (0.33) HTR2CHTR2BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212187-A1 FUSED RING DERIVATIVES AND USE THEREOF IN PHARMACY CISEN PHARMACEUTICAL CO., LTD (CN) 2023-07-06 US disclosed
US-20230002409-A1 MACROCYCLIC FLU ENDONUCLEASE INHIBITORS JANSSEN BIOPHARMA INC (US) 2023-01-05 US disclosed
US-20230002409-A1 MACROCYCLIC FLU ENDONUCLEASE INHIBITORS JANSSEN BIOPHARMA INC (US) 2023-01-05 US disclosed
US-11312727-B1 Macrocyclic flu endonuclease inhibitors Janssen Biopharma, Inc. (US) 2022-04-26 US disclosed
US-11312727-B1 Macrocyclic flu endonuclease inhibitors Janssen Biopharma, Inc. (US) 2022-04-26 US disclosed
EP-3864020-A1 MACROCYCLIC FLU ENDONUCLEASE INHIBITORS Janssen BioPharma, Inc. (US) 2021-08-18 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 (3 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-20230002409-A1 MACROCYCLIC FLU ENDONUCLEASE INHIBITORS ACE, PNP, FEN1 HTR2C 2220/4885HTR2B 3558/4885KAT6A 3841/4885
US-11312727-B1 Macrocyclic flu endonuclease inhibitors ACE, FEN1, PNP HTR2C 2792/4885HTR2B 3691/4885KAT6A 3762/4885
US-20230212187-A1 FUSED RING DERIVATIVES AND USE THEREOF IN PHARMACY ABCB1, CYP3A43, CYP3A7 HTR2C 1561/4885HTR2B 931/4885KAT6A 3906/4885

“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.