SCHEMBL20066465

SCHEMBL20066465

CCCN(CC)c1ccc(C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.47
ALDH1A1 P00352 4/20 0.47
TSHR P16473 3/20 0.47
PSMD14 O00487 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
GFER P55789 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 4/20 0.44
CASR P41180 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ALDH3A1 P30838 1/20 0.39
ALDH1A3 P47895 1/20 0.39

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
SCHEMBL12056655 0.92 EGFR (0.46) CNR2ALDH1A1TSHRPSMD14CYP3A4
SCHEMBL10080950 0.87 ALDH1A1 (0.60) CNR2ALDH1A1TSHRPSMD14CYP3A4
SCHEMBL10152990 0.85 CNR2 (0.45) CNR2ALDH1A1TSHRPSMD14CYP3A4
SCHEMBL24393992 0.80 CNR2 (0.42) CNR2ALDH1A1TSHRPSMD14CYP3A4
SCHEMBL11974253 0.80 CNR2 (0.48) CNR2TSHRL3MBTL1CNR1CASR
SCHEMBL5195399 0.80 GRK6 (0.49) CNR2ALDH1A1TSHRPSMD14CYP3A4
SCHEMBL19121455 0.80 ALDH1A1 (0.47) CNR2ALDH1A1TSHRPSMD14CYP3A4
SCHEMBL16689642 0.79 SLC2A1 (0.49) CNR2ALDH1A1TSHRPSMD14CYP3A4
SCHEMBL7520164 0.79 ALDH1A1 (0.75) CNR2ALDH1A1TSHRPSMD14CYP3A4
SCHEMBL4876985 0.78 CNR2 (0.52) CNR2L3MBTL1CNR1CASREGFR

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
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
WO-2018069490-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2018-04-19 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-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CNR2 874/4885ALDH1A1 3524/4885TSHR 1187/4885

“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.