SCHEMBL21376977

SCHEMBL21376977

CCC(C)OCCCN1CC(O)C1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 1/20 0.38
HRH3 Q9Y5N1 6/20 0.37
GUSB P08236 2/20 0.36
GBA1 P04062 4/20 0.34
SIGMAR1 Q99720 1/20 0.33
HTR1A P08908 1/20 0.33
HRH2 P25021 2/20 0.30
HRH1 P35367 2/20 0.30

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
SCHEMBL13542804 0.87 HRH3 (0.46) HRH3HTR1AHRH2HRH1
SCHEMBL13543540 0.87 HRH3 (0.46) HRH3HTR1AHRH2HRH1
SCHEMBL22861398 0.85 HTR1A (0.51) HRH3HTR1AHRH2HRH1
SCHEMBL22890922 0.85 HTR1A (0.51) HRH3HTR1AHRH2HRH1
SCHEMBL20739182 0.84 HRH3 (0.39) GLB1HRH3GUSBGBA1SIGMAR1
SCHEMBL22890929 0.83 HRH3 (0.41) HRH3SIGMAR1HRH2HRH1
SCHEMBL23373644 0.80 HRH3 (0.36) HRH3HRH2HRH1
SCHEMBL22861467 0.80 SIGMAR1 (0.53) SIGMAR1
SCHEMBL22861478 0.80 SIGMAR1 (0.53) SIGMAR1
SCHEMBL13543410 0.77 MEN1 (0.46) 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-10568874-B2 Indane-amines as PD-L1 antagonists CHEMOCENTRYX, INC. (US) 2020-02-25 US disclosed
US-20190282555-A1 INDANE-AMINES AS PD-L1 ANTAGONISTS CHEMOCENTRYX, INC. 2019-09-19 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-20190282555-A1 INDANE-AMINES AS PD-L1 ANTAGONISTS CD274, PDCD1LG2, PDCD1 GLB1 3043/4885HRH3 11/4885GUSB 4610/4885
US-10568874-B2 Indane-amines as PD-L1 antagonists CD274, PDCD1LG2, PDCD1 GLB1 3043/4885HRH3 11/4885GUSB 4610/4885

“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.