SCHEMBL19733461

SCHEMBL19733461

CC1(C(=O)CCCN)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
HDAC3 O15379 1/20 0.42
GABBR2 O75899 1/20 0.42
GABRA1 P14867 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRR1 P24046 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRR2 P28476 1/20 0.42
SLC6A1 P30531 1/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL13290232 0.75
SCHEMBL23986799 0.74 FFAR3 (0.36) FFAR3
SCHEMBL19733627 0.74 CYP1A2 (0.41) CYP1A2LMNATHRBBLMKMT2A
SCHEMBL19733613 0.72 CYP1A2 (0.38) CYP1A2LMNATHRBBLMKMT2A
SCHEMBL8907740 0.70 CYP1A2 (0.39) CYP1A2LMNATHRBBLMKMT2A
SCHEMBL8025488 0.67
SCHEMBL23395212 0.67 ALDH1A1 (0.33) ALDH1A1
SCHEMBL19198605 0.67 FFAR3 (0.37) FFAR3
SCHEMBL19647418 0.65 CYP1A2 (0.39) CYP1A2LMNATHRBBLMKMT2A
SCHEMBL21238456 0.65 ALDH1A1 (0.42) CYP1A2LMNABLMNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360952-A1 BIOMOLECULE CONJUGATES CELGENE CORPORATION 2017-12-21 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-20170360952-A1 BIOMOLECULE CONJUGATES DNPEP, NAPA, NCL CYP1A2 3948/4885LMNA 2251/4885THRB 3978/4885

“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.