SCHEMBL23744794

SCHEMBL23744794

OC1(C(F)F)CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.61
POLB P06746 1/20 0.59
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 1/20 0.56
CCR3 P51677 1/20 0.55
SIGMAR1 Q99720 4/20 0.55
ALDH1A1 P00352 3/20 0.51
CYP2C9 P11712 2/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51
CYP2D6 P10635 3/20 0.50
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
OPRM1 P35372 1/20 0.49
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL4485326 0.83 OPRL1 (0.61) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL28548988 0.80 OPRL1 (0.71) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL13864819 0.78 OPRL1 (0.55) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL11370652 0.78 CYP2D6 (0.60) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL26087024 0.78 TSHR (0.44) OPRL1POLBCYP3A4SIGMAR1ALDH1A1
SCHEMBL4782995 0.78 OPRL1 (0.54) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL653329 0.77 OPRL1 (0.67) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL8804780 0.77 OPRL1 (0.67) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL2953304 0.77 CYP2D6 (0.55) OPRL1POLBCYP3A4HSD17B10CCR3
SCHEMBL2918565 0.77 SIGMAR1 (0.65) OPRL1POLBCYP3A4HSD17B10CCR3

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-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
WO-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 WO 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-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 OPRL1 58/4885POLB 4490/4885CYP3A4 269/4885

“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.