SCHEMBL23328645

SCHEMBL23328645

COc1cc(C(C)C)ccc1N1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 12/20 0.43
ALDH1A1 P00352 1/20 0.42
TGFBR1 P36897 1/20 0.41
ACVR1 Q04771 1/20 0.41
KCNH2 Q12809 1/20 0.41
ACACB O00763 5/20 0.41
TNK2 Q07912 1/20 0.39

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
SCHEMBL23328644 0.82 HTT (0.39) GHSRACACB
SCHEMBL23328642 0.82 HTT (0.39) GHSRACACB
SCHEMBL23328643 0.81 HTT (0.47) GHSRALDH1A1ACACB
SCHEMBL31260259 0.81 NR4A1 (0.50) GHSRALDH1A1TGFBR1ACVR1KCNH2
SCHEMBL12354672 0.80 ACACB (0.42) ALDH1A1ACACB
SCHEMBL12354673 0.78 ACACB (0.45) ALDH1A1ACACB
SCHEMBL9224742 0.76 DRD2 (0.56) GHSRALDH1A1
SCHEMBL8343748 0.76 ALDH1A1 (0.58) ALDH1A1
SCHEMBL12445276 0.76 DRD2 (0.56) GHSRALDH1A1
SCHEMBL20883659 0.76 HTR3A (0.59)

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 GHSR 140/4885ALDH1A1 748/4885TGFBR1 126/4885
US-20210130353-A1 FGFR INHIBITOR AND APPLICATION THEREOF FGFR1, FGFR4, FGFR2 GHSR 139/4885ALDH1A1 642/4885TGFBR1 154/4885

“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.