SCHEMBL14723928

SCHEMBL14723928

CC(C)c1cc(C(C)(C)CO)no1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.40
CNR1 P21554 6/20 0.40
HMGCR P04035 1/20 0.37
SMN1; SMN2 Q16637 9/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL14723926 0.79 CNR1 (0.41) CNR2CNR1HMGCRSMN1; SMN2NPC1
SCHEMBL1091042 0.79 SMN1; SMN2 (0.38) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL2609438 0.78 ALDH1A1 (0.44) CNR2SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL9947014 0.77 CNR2 (0.39) CNR2CNR1NPC1RAB9AALDH1A1
SCHEMBL18433548 0.76 CNR2 (0.50) CNR2CNR1ALDH1A1
SCHEMBL1013248 0.76 CNR2 (0.38) CNR2CNR1HMGCRALDH1A1
SCHEMBL9891487 0.76 EGFR (0.42) CNR2CNR1NPC1RAB9AALDH1A1
SCHEMBL12602876 0.75 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9AALDH1A1CYP1A2
SCHEMBL9892807 0.74 CNR2 (0.37) CNR2CNR1SMN1; SMN2
SCHEMBL15121188 0.74 CNR2 (0.45) CNR2CNR1ALDH1A1

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-11713321-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2023-08-01 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 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 (2 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-11713321-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 CNR2 3084/4885CNR1 2194/4885HMGCR 3868/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 CNR2 4544/4885CNR1 4436/4885HMGCR 3380/4885

“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.