SCHEMBL26080932

SCHEMBL26080932

CC(C)c1ccc(Cl)cc1C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.42
PTGDR Q13258 5/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
KDM1A O60341 1/20 0.36
PTGER2 P43116 1/20 0.35
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
SLC6A4 P31645 3/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 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
SCHEMBL24511019 0.85 GABRA1 (0.41) PTGDR2PTGDRLMNATP53HTT
SCHEMBL29303933 0.81 TAAR1 (0.40) PTGDR2PTGDRLMNATP53HTT
SCHEMBL16960235 0.78 TRPA1 (0.48) PTGDR2LMNACHRNB2CHRNA4HTR2B
SCHEMBL21756929 0.77 GABRA1 (0.36) LMNAGABRA1GABRB1HTR2BSLC6A2
SCHEMBL10094428 0.77 F2RL1 (0.43) PTGDR2CHRNB2CHRNA4KDM1AHTR2A
SCHEMBL16960232 0.77 TRPA1 (0.31) LMNAHTR2BSLC6A2
SCHEMBL3781719 0.74 CHRNB2 (0.61) PTGDR2PTGDRTAAR1CHRNB2CHRNA4
SCHEMBL24869442 0.74 LMNA (0.37) LMNATP53HTTGABRA1GABRB1
SCHEMBL16955223 0.74 RARG (0.33) LMNACHRNB2CHRNA4HTR2BSLC6A2
SCHEMBL16953327 0.74 TAAR1 (0.38) PTGDR2PTGDRLMNATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 PTGDR2 1847/4885PTGDR 1988/4885LMNA 2941/4885

“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.