SCHEMBL2313787

SCHEMBL2313787

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)Nc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SORT1 Q99523 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2309083 0.84 RAB9A (0.49) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL2542785 0.77 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPSR1LMNAHTT
SCHEMBL2311726 0.77 USP30 (0.44) HTTKMT2A
SCHEMBL2540217 0.76 DEGS1 (0.45) MAPT
SCHEMBL2313161 0.74 HDAC6 (0.47) ALDH1A1LMNAKDM4EHPGDPOLB
SCHEMBL2309381 0.74 POLB (0.54) ALDH1A1LMNAKMT2AMEN1L3MBTL1
SCHEMBL2309316 0.74 DDR1 (0.49)
SCHEMBL2538007 0.72 NAMPT (0.45) ALDH1A1KDM4EHPGDPOLB
SCHEMBL2545563 0.72 POLB (0.47) LMNAMAPTKMT2AMEN1KDM4E
SCHEMBL2309991 0.71 ADRA1B (0.41) KMT2AMEN1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US claimed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO claimed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 WO 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 ALDH1A1 1622/4885SMN1; SMN2 756/4885NPSR1 568/4885

“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.