SCHEMBL21899148

SCHEMBL21899148

CC(C)(C)Nc1ccc(N2CCN(CCOC(C)(C)C)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.46
▸ DRD2 P14416 4/20 0.44
▸ DRD1 P21728 4/20 0.44
▸ DRD5 P21918 4/20 0.44
▸ DRD3 P35462 4/20 0.44
▸ HRH3 Q9Y5N1 4/20 0.41
▸ HTR1A P08908 3/20 0.40
▸ HTR2A P28223 3/20 0.40
▸ SLC6A4 P31645 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL21899147 0.84 HRH3 (0.43) DRD2DRD1DRD3HRH3HTR1A
SCHEMBL15179045 0.83 KDM4E (0.50) DRD2DRD1DRD5DRD3HRH3
SCHEMBL19959005 0.81 HRH3 (0.53) RETDRD2DRD1DRD5DRD3
SCHEMBL13761492 0.80 RAB9A (0.53) HRH3MAPTALDH1A1GAAKDM4E
SCHEMBL19959048 0.80 RET (0.48) RETDRD2DRD1DRD5DRD3
SCHEMBL20365422 0.80 RET (0.47) RETDRD2DRD1DRD5DRD3
SCHEMBL8254604 0.77 TRPV1 (0.46) MAPTALDH1A1TRPV1GAAKDM4E
SCHEMBL24654470 0.77 RET (0.45) RETDRD2DRD1DRD5DRD3
SCHEMBL12788395 0.77 HRH3 (0.62) DRD2DRD1DRD5DRD3HRH3
SCHEMBL8260664 0.76 TRPV1 (0.48) MAPTALDH1A1TRPV1GAAKDM4E

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 RET 894/4885DRD2 4412/4885DRD1 4560/4885

“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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