SCHEMBL31053802

SCHEMBL31053802

CC(C)(C(=O)Nc1ccc(C(F)(F)F)cc1CN1CCOCC1)n1cc(I)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.45
CNR1 P21554 4/20 0.45
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
HIF1A Q16665 4/20 0.42
EPAS1 Q99814 4/20 0.42
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SRPK1 Q96SB4 1/20 0.40

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
SCHEMBL25027294 1.00 CNR2 (0.45) CNR2CNR1POLBL3MBTL1ALOX5AP
SCHEMBL25024820 0.91 CNR2 (0.47) CNR2CNR1POLBL3MBTL1ALOX5AP
SCHEMBL25026492 0.82 LIPC (0.40) HIF1AEPAS1ALDH1A1NPSR1
SCHEMBL25027139 0.81 KIF11 (0.40) ALDH1A1NPSR1
SCHEMBL25026486 0.81 AR (0.35) ALDH1A1NPSR1
SCHEMBL31053872 0.81 SRPK1 (0.40) POLBALDH1A1ALOX12NPSR1SRPK1
SCHEMBL25024966 0.81 SRPK1 (0.40) POLBALDH1A1ALOX12NPSR1SRPK1
SCHEMBL25026972 0.80 GAA (0.39) NPSR1
SCHEMBL30137501 0.79 SMN1; SMN2 (0.54) CNR2CNR1POLBL3MBTL1HIF1A
SCHEMBL25026295 0.78 LMNA (0.48) CNR2CNR1ALDH1A1NPSR1

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-20250171417-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2025-05-29 US disclosed
CN-118475567-A Heterocyclic derivative, composition and pharmaceutical application thereof 西藏海思科制药有限公司 2024-08-09 CN 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-20250171417-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF AR, BCKDK, CYP11B2 CNR2 255/4885CNR1 265/4885POLB 2437/4885

“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.