SCHEMBL21664554

SCHEMBL21664554

CC(C)(C)N[C@H]1CCN(CCO[C@]2(C)CC[C@](C)(OCCN3CCN(c4cnc(C(C)(C)C)cn4)CC3)CC2)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.35
▸ DRD2 P14416 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ HTR1A P08908 4/20 0.32
▸ HTR7 P34969 4/20 0.32
▸ CHRM2 P08172 3/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CHRM5 P08912 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ DRD1 P21728 1/20 0.30
▸ DRD5 P21918 1/20 0.30

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
SCHEMBL21673570 0.86 HRH3 (0.35) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL20325412 0.77 HRH4 (0.36) HRH3DRD2DRD3HTR1AHTR7
SCHEMBL21934596 0.73 HRH3 (0.46) HRH3DRD2DRD3DRD1DRD5
SCHEMBL19959012 0.72 HRH3 (0.46) HRH3DRD2DRD3DRD1DRD5
SCHEMBL23664600 0.70 RET (0.35) HRH3DRD2DRD3
SCHEMBL14868545 0.68 GAA (0.50) HRH3
SCHEMBL21215059 0.65 KDM1A (0.41) HRH3HTR7
SCHEMBL9924595 0.64 HRH4 (0.51) HRH3
SCHEMBL18591812 0.64 KCNH2 (0.38) HRH3DRD2HTR1AHTR7
SCHEMBL20325149 0.62 KDM1A (0.45) HRH3DRD2HTR1AHTR7

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-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2020-02-06 — — 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 (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-20200038513-A1 MODULATORS OF FAK PROTEOLYSIS AND ASSOCIATED METHODS OF USE PTK2, CTTN, CRBN HRH3 3687/4885DRD2 4252/4885DRD3 4675/4885

“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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