SCHEMBL13801969

SCHEMBL13801969

OC(c1ccccc1)C1c2ccccc2CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.43
HTR2A P28223 2/20 0.41
RET P07949 1/20 0.41
CHRNA7 P36544 1/20 0.41
MTNR1B P49286 1/20 0.39
EPHX1 P07099 1/20 0.39
PRCP P42785 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GBA1 P04062 1/20 0.38
HTT P42858 1/20 0.37
CYP11B2 P19099 1/20 0.37
GAA P10253 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL4165348 0.86 LMNA (0.43) ACP3HTR2ARETCHRNA7PRCP
SCHEMBL4043081 0.83 SLC18A3 (0.41) ACP3HTR2ARETCHRNA7HTT
SCHEMBL4157911 0.82 GID4 (0.48) HTR2A
SCHEMBL4039398 0.80 GID4 (0.49) HTR2A
SCHEMBL12259452 0.78 CYP1A2 (0.46) EPHX1TSHRGBA1
SCHEMBL10754709 0.76 HTR2A (0.50) ACP3HTR2ARETPRCP
SCHEMBL4162181 0.75 ACP3 (0.39) ACP3HTR2ARETPRCP
SCHEMBL4170076 0.75 CETP (0.46)
SCHEMBL5102163 0.74 PRCP (0.63) PRCPTSHRNPSR1GAA
SCHEMBL10739890 0.73 ACP3 (0.47) ACP3HTR2ARETMTNR1BTSHR

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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 ACP3 990/4885HTR2A 574/4885RET 1151/4885

“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.