SCHEMBL2306876

SCHEMBL2306876

O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 2/20 0.45
MITF O75030 1/20 0.45
S1PR4 O95977 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
S1PR1 P21453 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.43
OPRM1 P35372 4/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 4/20 0.42
OPRL1 P41146 4/20 0.42
DRD4 P21917 1/20 0.41

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
SCHEMBL2310864 0.84 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPT
SCHEMBL2309063 0.83 FAAH (0.50) DRD4
SCHEMBL2311622 0.79 ATM (0.57) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2308214 0.78 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPT
SCHEMBL2310295 0.78 FAAH (0.55) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2310823 0.78 OPRM1 (0.49) MEN1KMT2ALMNAHTTOPRM1
SCHEMBL2379745 0.78 NPC1L1 (0.46) POLBHTTOPRM1OPRL1
SCHEMBL2380691 0.76 L3MBTL1 (0.46) KMT2AALDH1A1LMNASMN1; SMN2DRD4
SCHEMBL2308976 0.76 USP2 (0.57) KMT2AALDH1A1NPC1KDM4EPKM
SCHEMBL2309756 0.75 OPRM1 (0.41) MEN1KMT2AALDH1A1LMNAMAPT

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 MEN1 1085/4885KMT2A 3931/4885ALDH1A1 1622/4885

“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.