SCHEMBL23328246

SCHEMBL23328246

CCc1ccc(N(C)CCN2CCOCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
SIGMAR1 Q99720 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 4/20 0.40
HRH3 Q9Y5N1 2/20 0.40
MAPK1 P28482 2/20 0.40
RORC P51449 1/20 0.40
IL17A Q16552 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
SCN1A P35498 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL13103802 0.84 POLB (0.48) EPHX2ALDH1A1POLBSMN1; SMN2
SCHEMBL2375260 0.83 SIGMAR1 (0.46) EPHX2SIGMAR1ALDH1A1HRH3MAPK1
SCHEMBL24737221 0.83 HTR7 (0.49) SIGMAR1ALDH1A1POLBSMN1; SMN2HTR7
SCHEMBL11440371 0.83 HTR7 (0.53) SIGMAR1KMT2AMEN1ALDH1A1POLB
SCHEMBL24518600 0.81 SIGMAR1 (0.57) SIGMAR1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6653067 0.80 CYP3A4 (0.47) L3MBTL1ALDH1A1CYP1A2GAAHPGD
SCHEMBL10591990 0.79 CYP2A6 (0.42) ALDH1A1GAAHPGDSMN1; SMN2HTR7
SCHEMBL19623616 0.79 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1MAPK1CYP1A2
SCHEMBL2377976 0.77 MAPT (0.55) SIGMAR1KMT2AMEN1ALDH1A1KCNH2
SCHEMBL3229035 0.77 ALDH1A1 (0.44) KMT2AALDH1A1KCNH2POLBGAA

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
US-11365196-B2 FGFR inhibitor and application thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2022-06-21 US disclosed
US-20210130353-A1 FGFR INHIBITOR AND APPLICATION THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-05-06 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 (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-11365196-B2 FGFR inhibitor and application thereof FGFR1, FGFR4, FGFR2 EPHX2 2589/4885SIGMAR1 4734/4885L3MBTL1 3103/4885
US-20210130353-A1 FGFR INHIBITOR AND APPLICATION THEREOF FGFR1, FGFR4, FGFR2 EPHX2 2613/4885SIGMAR1 4694/4885L3MBTL1 3437/4885

“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.