SCHEMBL2309991

SCHEMBL2309991

O=C(Cl)CN1CCC(c2ccccc2)(c2ccccc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.41
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
RIPK1 Q13546 1/20 0.36
HSD11B1 P28845 3/20 0.36
OPRL1 P41146 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
OPRM1 P35372 1/20 0.35
BDKRB2 P30411 1/20 0.35

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
SCHEMBL2310569 0.88 CYP2D6 (0.46) ADRA1BKMT2APOLBCYP2D6CYP2C9
SCHEMBL2311040 0.79 OPRM1 (0.47) ADRA1BKMT2AMEN1OPRL1OPRM1
SCHEMBL2379745 0.79 NPC1L1 (0.46) POLBOPRL1OPRM1
SCHEMBL2310823 0.79 OPRM1 (0.49) KMT2ACYP2C9MEN1OPRL1OPRM1
SCHEMBL2543025 0.79 HPGD (0.53) KMT2APOLBMEN1
SCHEMBL2311285 0.79 ALDH1A1 (0.44) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL2358922 0.78 MMP1 (0.40) ADRA1BMMP1MMP2MMP9HSD11B1
SCHEMBL2312275 0.78 ADRA1B (0.42) ADRA1BKMT2ACYP2C9MEN1OPRL1
SCHEMBL2382229 0.78 SLC6A9 (0.40) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL18408950 0.78 ADRA1B (0.46) ADRA1BKMT2ACYP2D6CYP2C9CYP2C19

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
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 ADRA1B 43/4885KMT2A 3931/4885POLB 4591/4885

“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.