SCHEMBL21899147

SCHEMBL21899147

CC(C)(C)Nc1cnc(N2CCN(CCOC(C)(C)C)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.43
▸ SIGMAR1 Q99720 3/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ DRD2 P14416 3/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.38
▸ KCNH2 Q12809 1/20 0.36
▸ CACNA1I Q9P0X4 1/20 0.36

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
SCHEMBL21899148 0.84 RET (0.46) HRH3SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL20234904 0.83 HRH3 (0.46) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL19959013 0.82 HRH3 (0.54) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL12788390 0.82 HRH3 (0.59) HRH3SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL19959003 0.81 HRH3 (0.47) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL24654193 0.77 HRH3 (0.44) HRH3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL24654470 0.71 RET (0.45) HRH3SLC6A2SLC6A4SLC6A3DRD2
SCHEMBL24590359 0.71 POLB (0.49) —
SCHEMBL19958939 0.71 ALDH1A1 (0.41) HRH3SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL20231637 0.70 HDAC6 (0.46) HRH3SIGMAR1DRD2DRD3HTR1A

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-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE UNIV YALE (US) 2020-04-23 — — 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-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN HRH3 3605/4885SIGMAR1 4432/4885SLC6A2 4744/4885

“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.

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