SCHEMBL2543030

SCHEMBL2543030

CC1(C)C(=O)N(CCN2CCC(c3ccccc3)(c3ccccc3)C2=O)CCN1Cc1cccs1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
METAP2 P50579 3/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HSD11B1 P28845 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL2312275 0.69 ADRA1B (0.42) MEN1ALDH1A1KMT2AOPRM1OPRL1
SCHEMBL2310052 0.69 ADRA1B (0.40) DRD4MEN1ALDH1A1KMT2AHSD11B1
SCHEMBL2309924 0.69 ADRA1B (0.42) CHRM2MEN1KMT2AHSD11B1OPRM1
SCHEMBL18408950 0.68 ADRA1B (0.46) MEN1KMT2AHSD11B1OPRM1OPRL1
SCHEMBL2309812 0.68 CHRM2 (0.35) CHRM2CHRM3DRD4DRD3METAP2
SCHEMBL2314565 0.66 HSD17B10 (0.45) CHRM2CHRM3DRD4DRD3POLB
SCHEMBL2314675 0.65 DRD2 (0.42) POLBTDP1MEN1MAPTKMT2A
SCHEMBL2546338 0.64 ADRA1B (0.42) CHRM2CHRM3DRD3OPRM1OPRL1
SCHEMBL30929784 0.64 GRIN1 (0.57) CHRM2DRD4MEN1ALDH1A1KMT2A
SCHEMBL2310569 0.64 CYP2D6 (0.46) POLBTDP1ALDH1A1KMT2AHSD11B1

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 claimed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US claimed
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 CHRM2 115/4885CHRM3 220/4885DRD4 1709/4885

“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.