SCHEMBL23918901

SCHEMBL23918901

CC(C)C(C)(c1ccccc1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BLM P54132 2/20 0.42
SLC22A2 O15244 1/20 0.42
SLC22A1 O15245 1/20 0.42
PGR P06401 1/20 0.42
THRB P10828 1/20 0.42
ADRB3 P13945 1/20 0.42
OPRK1 P41145 1/20 0.42
PMP22 Q01453 1/20 0.42
KCNH2 Q12809 1/20 0.42
PDE3A Q14432 1/20 0.42
SLC47A1 Q96FL8 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX5AP P20292 2/20 0.40
CHRM3 P20309 1/20 0.40

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
SCHEMBL22863374 0.88 SMN1; SMN2 (0.50) CHRM2SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL13330619 0.79 CHRM2 (0.49) CHRM2SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL3660630 0.77 TAAR1 (0.48) CYP3A4ALOX15TSHRCYP2D6KMT2A
SCHEMBL12862746 0.77 SMN1; SMN2 (0.47) CHRM2SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL16132367 0.76 SMN1; SMN2 (0.52) CHRM2SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL2018258 0.76 SMN1; SMN2 (0.50) CHRM2SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL20809866 0.76 SMN1; SMN2 (0.50) CHRM2SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL7894827 0.76 SMN1; SMN2 (0.50) CHRM2SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL2694787 0.76 CHRM2 (0.54) CHRM2SMN1; SMN2L3MBTL1BLMSLC22A2
SCHEMBL22863306 0.76 L3MBTL1 (0.39) CHRM2SMN1; SMN2L3MBTL1BLMSLC22A2

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-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2021-10-14 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-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR EP300, CREBBP, HDAC11 CHRM2 1749/4885SMN1; SMN2 2517/4885L3MBTL1 611/4885

“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.