SCHEMBL29636254

SCHEMBL29636254

N[C@@]1(Cl)CCCC[C@@]1(N)Cl

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 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
SCHEMBL16415850 1.00 TSHR (0.30) TSHRCYP2C19
SCHEMBL9792256 1.00 TSHR (0.30) TSHRCYP2C19
SCHEMBL2986913 1.00 TSHR (0.30) TSHRCYP2C19
SCHEMBL2395690 0.96
SCHEMBL4412549 0.96
SCHEMBL30615700 0.96 TSHR (0.35) TSHRCYP2C19
SCHEMBL31139018 0.96 TSHR (0.35) TSHRCYP2C19
SCHEMBL4415844 0.96
SCHEMBL11145456 0.96 TSHR (0.35) TSHRCYP2C19
SCHEMBL10597160 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185836-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF CANCERS XLINK THERAPEUTICS INC (US) 2022-06-16 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 (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-20220185836-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF CANCERS TP53, VHL, KRAS TSHR 3883/4885CYP2C19 2838/4885

“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.