SCHEMBL22731574

SCHEMBL22731574

CCOCCCN1CCC(C)(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.37
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 2/20 0.32
HTR2A P28223 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
MAPK1 P28482 1/20 0.32
SCN1A P35498 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN2A Q99250 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SCN3A Q9NY46 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
CD274 Q9NZQ7 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
SCHEMBL22731513 0.88 HRH3 (0.41) HRH3HRH1HTR2AALDH1A1CYP1A2
SCHEMBL25497517 0.87 HRH3 (0.48) HRH3CYP2D6CYP2C19HRH1HTR2A
SCHEMBL22731537 0.81 HRH3 (0.39) HRH3HRH1HTR2AALDH1A1HTR2B
SCHEMBL11569854 0.80
SCHEMBL29322718 0.80 MAPK1 (0.40) HRH3CYP2D6CYP2C19HTR2AALDH1A1
SCHEMBL21793001 0.80 HRH3 (0.38) HRH3HRH1HTR2AALDH1A1HTR2B
SCHEMBL24114659 0.80 HRH3 (0.38) HRH3HRH1HTR2AALDH1A1HTR2B
SCHEMBL27360376 0.79 S1PR1 (0.46) SIGMAR1S1PR1S1PR3S1PR5
SCHEMBL10961176 0.78 CYP2D6 (0.41) HRH3CYP2D6CYP2C19HRH1HTR2A
SCHEMBL21310110 0.77 HRH3 (0.39) HRH3

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-11135210-B2 Indane-amines as PD-L1 antagonists CHEMOCENTRYX, INC. (US) 2021-10-05 US disclosed
US-20200375962-A1 INDANE-AMINES AS PD-L1 ANTAGONISTS CHEMOCENTRYX, INC. 2020-12-03 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-20200375962-A1 INDANE-AMINES AS PD-L1 ANTAGONISTS CD274, PDCD1LG2, PDCD1 HRH3 11/4885CYP2D6 739/4885CYP2C19 1373/4885
US-11135210-B2 Indane-amines as PD-L1 antagonists CD274, PDCD1LG2, PDCD1 HRH3 11/4885CYP2D6 739/4885CYP2C19 1373/4885

“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.