SCHEMBL25909385

SCHEMBL25909385

C=C(N1CCCC2(CCN(C(C)C)CC2)C1)N(C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.36
CYP2D6 P10635 8/20 0.35
CYP1A2 P05177 7/20 0.35
CYP2C9 P11712 5/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 8/20 0.34
CYP3A4 P08684 11/20 0.34
USP2 O75604 5/20 0.33
CYP2C19 P33261 4/20 0.33
HIF1A Q16665 1/20 0.33
GRM5 P41594 1/20 0.31
ALOX15 P16050 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL23323571 0.84 HRH3 (0.42) HRH3CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL23324887 0.74 HRH3 (0.43) HRH3CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL20148750 0.73 CYP2D6 (0.46) HRH3CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL23323569 0.72 CYP3A4 (0.44) HRH3CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL10111444 0.70 CYP2D6 (0.39) HRH3CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL23323568 0.70 HRH3 (0.39) HRH3CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL25884737 0.70 HRH3 (0.36) HRH3CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL23323567 0.69 CYP2D6 (0.39) HRH3CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL23325421 0.69 HRH3 (0.39) HRH3CYP2D6CYP1A2CYP2C9ALDH1A1
SCHEMBL10128467 0.68 USP2 (0.49) HRH3CYP2D6CYP1A2CYP2C9ALDH1A1

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-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 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-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR HRH3 3890/4885CYP2D6 4714/4885CYP1A2 4879/4885

“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.