SCHEMBL30488771

SCHEMBL30488771

COC(=O)C1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
HSD11B1 P28845 2/20 0.40
BACE1 P56817 1/20 0.38
OPRD1 P41143 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ITGA4 P13612 1/20 0.37
CYP3A4 P08684 2/20 0.36
LPAR1 Q92633 1/20 0.36
OPRM1 P35372 2/20 0.36
NAE1 Q13564 1/20 0.35
UBA3 Q8TBC4 1/20 0.35
POLB P06746 1/20 0.34
HTR2C P28335 1/20 0.33
PKM P14618 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL14272835 1.00 SIGMAR1 (0.40) SIGMAR1HSD11B1BACE1OPRD1KCNH2
SCHEMBL231633 1.00 SIGMAR1 (0.40) SIGMAR1HSD11B1BACE1OPRD1KCNH2
SCHEMBL8106137 0.86 OPRM1 (0.46) SIGMAR1MAPTOPRM1POLBPKM
SCHEMBL13689881 0.86 KDM1A (0.37) SIGMAR1HSD11B1OPRD1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL8316273 0.85 OPRM1 (0.45) SIGMAR1MAPTOPRM1POLBPKM
SCHEMBL651529 0.84 HSD11B1 (0.40) SIGMAR1HSD11B1OPRD1KCNH2CYP3A4
SCHEMBL1222859 0.83 HSD11B1 (0.51) SIGMAR1HSD11B1OPRD1KCNH2ALDH1A1
SCHEMBL9966031 0.83 HSD11B1 (0.47) SIGMAR1HSD11B1OPRD1KCNH2CYP3A4
SCHEMBL14300920 0.82 HSD11B1 (0.46) SIGMAR1HSD11B1BACE1OPRD1KCNH2
SCHEMBL14530302 0.81 OPRD1 (0.54) SIGMAR1HSD11B1OPRD1KCNH2OPRM1

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-12209094-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2025-01-28 US disclosed
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 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-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 SIGMAR1 1047/4885HSD11B1 1354/4885BACE1 4156/4885
US-12209094-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 SIGMAR1 1047/4885HSD11B1 1354/4885BACE1 4156/4885

“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.