SCHEMBL25447679

SCHEMBL25447679

CC1=CCC(CCOCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
AGTR2 P50052 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4D Q08499 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LTA4H P09960 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
CYP2C19 P33261 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD2 P14416 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
SCHEMBL16692536 0.85 TSHR (0.53) TSHRNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL28555127 0.83 ESR2 (0.43) TSHRLMNAHTTAGTR2PDE4D
SCHEMBL9874798 0.78 NPC1 (0.50) TSHRNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12982403 0.78 TSHR (0.54) TSHRLMNAHTTAGTR2TDP1
SCHEMBL28555493 0.77 MCL1 (0.34) AGTR2MEN1KMT2A
SCHEMBL1340545 0.77 TSHR (0.39) TSHRLMNAHTTAGTR2TDP1
SCHEMBL1339794 0.77 LMNA (0.37) TSHRLMNAHTTAGTR2TDP1
SCHEMBL24736533 0.76 P2RX7 (0.36) TSHRALDH1A1LMNAHTTAGTR2
SCHEMBL1197663 0.76 TSHR (0.44) TSHRALDH1A1LMNAHTTAGTR2
SCHEMBL15779300 0.76 TSHR (0.44) TSHRLMNAHTTAGTR2TDP1

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-20230144411-A1 SUBSTITUTED CYCLOHEXYL COMPOUNDS AS NOP INHIBITORS DART NEUROSCIENCE LLC 2023-05-11 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-20230144411-A1 SUBSTITUTED CYCLOHEXYL COMPOUNDS AS NOP INHIBITORS OPRL1, OPRK1, NOP56 TSHR 462/4885NPC1 590/4885ALDH1A1 2958/4885

“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.