SCHEMBL22694971

SCHEMBL22694971

CC(CC(C)(C)c1cnc[nH]1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.40
CYP17A1 P05093 11/20 0.38
CYP3A4 P08684 10/20 0.38
HRH3 Q9Y5N1 5/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
LMNA P02545 1/20 0.36
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL16264708 0.85 HRH4 (0.42) HRH4CYP17A1CYP3A4HRH3ALDH1A1
SCHEMBL14415970 0.73 HRH4 (0.44) HRH4HRH3ALDH1A1MEN1GLA
Hydrochloric Acid SCHEMBL25371613 0.72 HRH4 (0.43) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL14857108 0.72 HRH4 (0.43) HRH4CYP17A1CYP3A4HRH3ALDH1A1
SCHEMBL26052366 0.70 HRH1 (0.42) HRH4HRH3LMNAAPEX1
SCHEMBL26812529 0.70 HRH4 (0.42) HRH4CYP17A1CYP3A4HRH3ALDH1A1
SCHEMBL22082313 0.68 CPB1 (0.41) HRH4HRH3ALDH1A1MEN1GLA
SCHEMBL14857315 0.67 HRH3 (0.39) HRH4CYP17A1CYP3A4HRH3ALDH1A1
SCHEMBL20696520 0.67 HRH3 (0.44) HRH4CYP3A4HRH3CYP1A2
SCHEMBL27617871 0.66

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-20230061891-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11111229-B2 Tetrahydroquinoline compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2021-09-07 US disclosed
US-20200369642-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2020-11-26 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-11111229-B2 Tetrahydroquinoline compositions as BET bromodomain inhibitors BRD4, BRD3, BRD1 HRH4 634/4885CYP17A1 2911/4885CYP3A4 3869/4885
US-20200369642-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HRH4 634/4885CYP17A1 2911/4885CYP3A4 3869/4885
US-20230061891-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HRH4 634/4885CYP17A1 2911/4885CYP3A4 3869/4885

“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.