SCHEMBL19083885

SCHEMBL19083885

CC1CCN([C@@H](c2ccccc2)c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.53
CACNA1B Q00975 3/20 0.53
CACNB1 Q02641 3/20 0.53
CHRM2 P08172 3/20 0.51
ADRA2A P08913 3/20 0.51
CHRM1 P11229 3/20 0.51
DRD1 P21728 3/20 0.51
DRD3 P35462 3/20 0.51
SLC6A3 Q01959 3/20 0.51
KCNH2 Q12809 3/20 0.51
HTR1A P08908 2/20 0.51
TBXA2R P21731 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
ADRA1A P35348 2/20 0.51
BCL2 P10415 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
CYP2D6 P10635 4/20 0.50
TSHR P16473 2/20 0.50
CYP2C19 P33261 2/20 0.50

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
SCHEMBL17428330 1.00 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CHRM2ADRA2A
SCHEMBL3457922 0.87 L3MBTL3 (0.61) CHRM2ADRA2ACHRM1DRD1DRD3
SCHEMBL20697765 0.85 CACNA2D1 (0.51) CACNA2D1CACNA1BCACNB1CHRM2ADRA2A
SCHEMBL19075516 0.85 CACNA2D1 (0.51) CACNA2D1CACNA1BCACNB1CHRM2ADRA2A
SCHEMBL21075238 0.85 CACNA2D1 (0.53) CACNA2D1CACNA1BCACNB1CHRM2ADRA2A
SCHEMBL23118426 0.84 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CHRM2ADRA2A
SCHEMBL19075587 0.84 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CHRM2ADRA2A
SCHEMBL23118427 0.84 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CHRM2ADRA2A
SCHEMBL21075702 0.79 CHRM2 (0.46) CACNA2D1CACNA1BCACNB1CHRM2ADRA2A
SCHEMBL1741576 0.78 MEN1 (0.74) CACNA2D1CACNA1BCACNB1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 CACNA2D1 4055/4885CACNA1B 1812/4885CACNB1 2837/4885

“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.