SCHEMBL25820305

SCHEMBL25820305

CN1CCC2(CC1)CCN(CC1(F)CC1)CC2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.31
MAPK1 P28482 1/20 0.30
CYP2D6 P10635 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL27269191 0.86 KDM1A (0.31)
SCHEMBL27306256 0.85 SLC6A2 (0.36) TSHRSMN1; SMN2
SCHEMBL27267906 0.83 TSHR (0.37) TSHR
SCHEMBL25001375 0.79
SCHEMBL27307717 0.78 CYP2D6 (0.31) CYP2D6SMN1; SMN2
SCHEMBL27349654 0.78 TSHR (0.46) TSHRHIF1AMAPK1CYP2D6SMN1; SMN2
SCHEMBL25822472 0.77 TSHR (0.33) TSHRCYP2D6SMN1; SMN2
SCHEMBL24589644 0.76 KDM4E (0.40) TSHRCYP2D6
SCHEMBL25001374 0.74 OPRM1 (0.35) TSHRHIF1AMAPK1CYP2D6SMN1; SMN2
SCHEMBL1753867 0.74 TSHR (0.43) TSHRHIF1AMAPK1

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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 US disclosed
US-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 TSHR 1968/4885HIF1A 3211/4885MAPK1 437/4885

“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.