SCHEMBL21664604

SCHEMBL21664604

CC(C)(C)CCN1CCN(CCCCCOC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.38
MAOB P27338 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL20128853 0.93 HRH3 (0.38) HRH3MAOBALDH1A1GNAI3GNAO1
SCHEMBL26972454 0.89 HRH3 (0.41) HRH3MAOBALDH1A1USP2HPGD
SCHEMBL22560691 0.87 HRH3 (0.41) HRH3MAOBALDH1A1GNAI3GNAO1
SCHEMBL20128852 0.87 HRH3 (0.35) HRH3MAOB
SCHEMBL19958946 0.85 ALDH1A1 (0.36) HRH3ALDH1A1
SCHEMBL20128871 0.85 HRH3 (0.33) HRH3MAOBALDH1A1
SCHEMBL13801832 0.83 HRH3 (0.54) HRH3MAOBALDH1A1
SCHEMBL13174317 0.83 ALDH1A1 (0.47) HRH3ALDH1A1USP2HPGD
SCHEMBL26972452 0.82 HRH3 (0.40) HRH3MAOB
SCHEMBL22536255 0.82 HRH3 (0.38) HRH3MAOBALDH1A1GNAI3GNAO1

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 3687/4885MAOB 1252/4885ALDH1A1 3692/4885

“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.