SCHEMBL23915570

SCHEMBL23915570

Nc1cc(Br)c(OCC2CC2)cc1N

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
SCN9A Q15858 2/20 0.38
HTR2C P28335 7/20 0.36
HTR2B P41595 4/20 0.36
HTR2A P28223 3/20 0.36
AAK1 Q2M2I8 1/20 0.36
RIPK1 Q13546 1/20 0.36
CDK2 P24941 1/20 0.35
DHFR P00374 1/20 0.35
MCHR1 Q99705 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL16738735 0.93 MCHR1 (0.42) SCN9AHTR2CAAK1CDK2MCHR1
SCHEMBL23966794 0.84 CNR2 (0.35) CNR2SCN9AHTR2CHTR2BHTR2A
SCHEMBL23966507 0.82 KDM4E (0.39) HTR2CHTR2BHTR2ARIPK1CDK2
SCHEMBL23966847 0.80 AAK1 (0.40) CNR2SCN9AHTR2CHTR2BHTR2A
SCHEMBL16650978 0.79 RIPK1 (0.41) HTR2CHTR2BHTR2ARIPK1MCHR1
SCHEMBL21957402 0.78 SCD (0.42) CNR2SCN9AHTR2CHTR2BHTR2A
SCHEMBL31027311 0.78 SCD (0.42) CNR2SCN9AHTR2CHTR2BHTR2A
SCHEMBL23914594 0.78 HTR2C (0.42) HTR2CHTR2BHTR2ARIPK1CDK2
SCHEMBL23908770 0.78 HTR2C (0.41) CNR2SCN9AHTR2CHTR2B
SCHEMBL5241392 0.76 CNR2 (0.38) CNR2SCN9AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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 (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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 CNR2 17/4885SCN9A 3355/4885HTR2C 1276/4885

“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.