SCHEMBL2544136

SCHEMBL2544136

FC(F)(F)c1ccc2c(c1)nnn2C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
ALDH1A1 P00352 5/20 0.56
PKM P14618 2/20 0.56
HTT P42858 4/20 0.53
USP2 O75604 3/20 0.53
NPSR1 Q6W5P4 6/20 0.52
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
GALK1 P51570 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 3/20 0.51
GAA P10253 2/20 0.50
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.47
HCAR3 P49019 2/20 0.46

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
Hydrochloric Acid SCHEMBL5857416 0.99 LMNA (0.55) LMNAALDH1A1PKMHTTUSP2
SCHEMBL25802934 0.83 PKM (0.64) LMNAALDH1A1PKMHTTUSP2
SCHEMBL6890786 0.82 ALDH1A1 (0.58) LMNAALDH1A1PKMHTTUSP2
SCHEMBL10059196 0.79 HCAR3 (0.49) LMNAALDH1A1PKMHTTNPSR1
SCHEMBL4673529 0.79 HCAR3 (0.49) LMNAALDH1A1USP2NPSR1SMN1; SMN2
SCHEMBL27917816 0.79 LMNA (0.72) LMNAALDH1A1PKMHTTUSP2
SCHEMBL2850424 0.77 LMNA (0.53) LMNAALDH1A1HTTUSP2NPSR1
SCHEMBL3137899 0.76 HCAR3 (0.49) LMNAALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL829129 0.75 USP2 (0.52) LMNAALDH1A1PKMHTTUSP2
SCHEMBL31587054 0.75 CCR3 (0.52) ALDH1A1PKMUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561742-A Rupestonic acid amide derivative containing nitrogen heterocycle, and preparation method and application thereof 中国科学院新疆理化技术研究所 2024-08-30 CN claimed
CN-118561742-A Rupestonic acid amide derivative containing nitrogen heterocycle, and preparation method and application thereof 中国科学院新疆理化技术研究所 2024-08-30 CN disclosed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D LMNA 577/4885ALDH1A1 1622/4885PKM 3838/4885

“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.