SCHEMBL27170652

SCHEMBL27170652

C1CC2(CCN1)CNC2.C1NCC12CNC2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
CYP2D6 P10635 3/20 0.32
USP2 O75604 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 2/20 0.31
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.31
PDE4A P27815 1/20 0.31
KDR P35968 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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
SCHEMBL625429 0.97
SCHEMBL27150426 0.90 TSHR (0.39) TSHRCYP2D6USP2ALDH1A1HPGD
SCHEMBL27184132 0.87 TSHR (0.40) TSHRCYP2D6USP2ALDH1A1HPGD
SCHEMBL5431066 0.87 TSHR (0.40) TSHRCYP2D6USP2ALDH1A1HPGD
SCHEMBL473625 0.86
SCHEMBL5431980 0.85 CYP2D6 (0.35) TSHRCYP2D6USP2ALDH1A1HPGD
SCHEMBL5419783 0.84 TSHR (0.34) TSHRCYP2D6USP2ALDH1A1HPGD
SCHEMBL16877361 0.84 TSHR (0.39) TSHRCYP2D6USP2ALDH1A1HPGD
SCHEMBL16877341 0.83 ALDH1A1 (0.40) TSHRCYP2D6USP2ALDH1A1HSD17B10
SCHEMBL303389 0.83 TSHR (0.41) TSHRCYP2D6USP2ALDH1A1HPGD

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-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 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-20240083853-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 TSHR 4218/4885CYP2D6 337/4885USP2 2159/4885

“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.