SCHEMBL16365613

SCHEMBL16365613

COC1CCN([C@@H]2CCNC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
KHK P50053 6/20 0.36
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL23588991 1.00 HTR6 (0.46) HTR6KHKCHRM2CHRM1CHRM3
SCHEMBL16365472 1.00 HTR6 (0.46) HTR6KHKCHRM2CHRM1CHRM3
SCHEMBL31208709 0.89 HTR6 (0.39) HTR6KHKCCNT1CDK9
SCHEMBL233141 0.88 CHRM2 (0.37) HTR6KHKCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL18693791 0.86 CHRM2 (0.36) HTR6KHKCHRM2CHRM1CHRM3
SCHEMBL21570134 0.86 HTR6 (0.36) HTR6KHKCCNT1CDK9
Hydrochloric Acid SCHEMBL2476511 0.84 HTR6 (0.35) HTR6CCNT1CDK9
SCHEMBL31209187 0.82 HTR6 (0.38) HTR6KHK
SCHEMBL5225386 0.78 HTR6 (0.50) HTR6KHK
SCHEMBL21816613 0.77 IRAK4 (0.36) CHRM2CHRM1CHRM3

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-20240368193-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-11-07 US disclosed
WO-2014202458-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2014-12-24 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-20240368193-A1 KRAS INHIBITORS KRAS, NRAS, HRAS HTR6 4845/4885KHK 2468/4885CHRM2 4668/4885

“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.