SCHEMBL24409258

SCHEMBL24409258

CC1(C)OB(c2ccc(N3CC4CCC(C3)N4Cc3ccc(-n4cc(F)cn4)nc3)nc2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
DRD4 P21917 2/20 0.38
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
HTR7 P34969 2/20 0.38
DRD3 P35462 2/20 0.38
RET P07949 13/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
CHIA Q9BZP6 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2C P28335 1/20 0.33
PARP1 P09874 1/20 0.32
TNK1 Q13470 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
SCHEMBL23509873 0.95 RET (0.38) RET
SCHEMBL20071165 0.76 RET (0.48) RET
SCHEMBL29566532 0.76 RET (0.48) RET
SCHEMBL23509913 0.76 RET (0.45) RET
SCHEMBL23957655 0.75 LPL (0.33)
SCHEMBL23957702 0.75 LPL (0.34)
SCHEMBL23501324 0.75 RET (0.40) RET
SCHEMBL22660545 0.74 RET (0.43) RET
SCHEMBL22795728 0.71 USP30 (0.38)
SCHEMBL26858262 0.71 USP30 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF ELLIPSES PHARMA LTD (GB) 2022-05-12 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-20220144847-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF NOTUM, FURIN, CYP4A11 HTR1A 1882/4885DRD4 3377/4885HTR2A 2977/4885

“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.