SCHEMBL25839802

SCHEMBL25839802

Cc1cccc(C2(Cl)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.46
HDAC4 P56524 1/20 0.45
HTR2C P28335 3/20 0.41
HTR2A P28223 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
OPRL1 P41146 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39

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
SCHEMBL28173900 0.90 HDAC4 (0.49) ACHEHDAC4HTR2CHTR2AOPRM1
SCHEMBL17028535 0.76 ACHE (0.48) ACHEHDAC4HTR2CHTR2AOPRM1
SCHEMBL11971724 0.74 ACHE (0.46) ACHEHDAC4HTR2CHTR2A
SCHEMBL27352126 0.74 OPRM1 (0.59) ACHEHDAC4HTR2CHTR2AOPRM1
SCHEMBL23672531 0.72 ACHE (0.44) ACHEHDAC4HTR2CHTR2AOPRM1
Hydrochloric Acid SCHEMBL31486432 0.72 HTR2C (0.47) ACHEHTR2CHTR2A
SCHEMBL8765620 0.72 HSD11B1 (0.55) ACHEHDAC4HTR2CHTR2AOPRM1
SCHEMBL13334110 0.71 HDAC4 (0.58) ACHEHDAC4OPRM1OPRD1OPRK1
SCHEMBL19060987 0.71 SLC6A4 (0.46) ACHEHDAC4HTR2CHTR2AOPRM1
SCHEMBL16029802 0.71 HDAC4 (0.50) ACHEHDAC4HTR2CHTR2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227438-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-07-20 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-20230227438-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPAR1, LPL ACHE 46/4885HDAC4 1404/4885HTR2C 329/4885

“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.