SCHEMBL26611531

SCHEMBL26611531

O=C1c2ccccc2C(=O)N1[C@H]1CCNC[C@@H]1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CHRM2 P08172 1/20 0.42
OPRM1 P35372 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
IKZF3 Q9UKT9 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR2B P41595 7/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
HTR2C P28335 6/20 0.40
HTR2A P28223 5/20 0.40
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36

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
SCHEMBL30619211 1.00 ALDH1A1 (0.42) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL11978254 0.88 HTR2B (0.43) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL16169051 0.81 HTR2B (0.46) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL6662085 0.78 ALDH1A1 (0.44) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL3540268 0.78 ALDH1A1 (0.44) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL15517107 0.78 HTR2B (0.49) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL30850112 0.77 HTR2B (0.42) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL24424025 0.77 HTR2B (0.58) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL31238892 0.77 HTR2B (0.58) ALDH1A1CHRM2OPRM1DDB1CRBN
SCHEMBL29585627 0.77 HTR2B (0.58) ALDH1A1CHRM2OPRM1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4511368-A2 CCR4 ANTAGONISTS ChemoCentryx, Inc. (US) 2025-02-26 EP disclosed
US-20230382894-A1 CCR4 ANTAGONISTS CHEMOCENTRYX, INC. 2023-11-30 US disclosed
WO-2023205618-A2 CCR4 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2023-10-26 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-20230382894-A1 CCR4 ANTAGONISTS CCR4, CCR1, CCR3 ALDH1A1 2323/4885CHRM2 106/4885OPRM1 139/4885

“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.