SCHEMBL21177112

SCHEMBL21177112

CCN(CCO)Cc1[c]c(F)ccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL21182289 0.90 HTT (0.37) ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL4310389 0.74 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL457008 0.69
SCHEMBL21177113 0.68 CYP1A2 (0.46) ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL1302287 0.67 HTT (0.56) ALDH1A1LMNAHSD17B10MAPK1HTT
SCHEMBL28341397 0.66 HTT (0.54) ALDH1A1LMNAHSD17B10MAPK1HTT
SCHEMBL2872811 0.66 HRH3 (0.36) ALDH1A1CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL5233442 0.66 PRKCI (0.38) ALDH1A1HSD17B10HPGDMAPK1HTT
SCHEMBL3024077 0.65 HRH3 (0.44) ALDH1A1CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL17388930 0.64 KCNH2 (0.34) ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739070-B2 C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-08-29 US disclosed
EP-3740476-A1 C5A RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP disclosed
US-20200347029-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD. (CH) 2020-11-05 US disclosed
WO-2019141803-A1 C5A RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2019-07-25 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 (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-20200347029-A1 C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 ALDH1A1 2987/4885CYP1A2 866/4885CYP2D6 1108/4885
US-11739070-B2 C5A receptor modulators C5AR1, C3AR1, C5AR2 ALDH1A1 2987/4885CYP1A2 866/4885CYP2D6 1108/4885

“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.