SCHEMBL22388178

SCHEMBL22388178

CC(C)CCc1ccc(N(C)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
AOC3 Q16853 6/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SIGMAR1 Q99720 3/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL13886433 0.83 ALDH1A1 (0.54) HRH3ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL27056901 0.82 KDM4E (0.47) KDM4EAOC3HRH3SIGMAR1ALDH1A1
SCHEMBL24300628 0.82 KDM4E (0.36) KDM4EAOC3HRH3SIGMAR1ALDH1A1
SCHEMBL8080450 0.80 HTT (0.41) KDM4EAOC3TSHR
SCHEMBL22702644 0.79 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL18279459 0.79 ALDH1A1 (0.58) KDM4EHRH3SIGMAR1ALDH1A1CYP3A4
SCHEMBL22388176 0.78 OPRM1 (0.46) KDM4EAOC3SIGMAR1TAAR1BCHE
SCHEMBL22388183 0.77 ESRRG (0.38) AOC3ALDH1A1TDP1BCHE
SCHEMBL21153502 0.77 HRH3 (0.35) KDM4EAOC3HRH3ALDH1A1CYP3A4
SCHEMBL20323571 0.77 HPGD (0.41) KDM4EALDH1A1CYP3A4TSHRMAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827656-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2023-11-28 US disclosed
US-11225493-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2022-01-18 US disclosed
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2020-09-03 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 (3 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-11827656-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 KDM4E 1084/4885AOC3 3941/4885HRH3 3387/4885
US-20200277312-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 KDM4E 1084/4885AOC3 3941/4885HRH3 3387/4885
US-11225493-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 KDM4E 1084/4885AOC3 3941/4885HRH3 3387/4885

“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.