SCHEMBL19913871

SCHEMBL19913871

CC1(C)NCCN(c2ccccn2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.54
ALOX5 P09917 1/20 0.47
PLD1 Q13393 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 6/20 0.42
HSD17B10 Q99714 5/20 0.42
HPGD P15428 3/20 0.42
CYP2D6 P10635 3/20 0.42
TSHR P16473 3/20 0.42
USP2 O75604 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 4/20 0.40
POLB P06746 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 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
SCHEMBL4294573 0.79 OPRD1 (0.41) CRBNGRM4
SCHEMBL28901515 0.78 CRBN (0.53) CRBNALOX5SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4296946 0.78 CCNA2 (0.39) CCNA2CDK2
SCHEMBL2198674 0.77 CRBN (0.63) CRBNALOX5PLD1SMN1; SMN2ALDH1A1
SCHEMBL30702779 0.77 CRBN (0.63) CRBNALOX5PLD1SMN1; SMN2ALDH1A1
SCHEMBL24700453 0.76 DDB1 (0.47) CRBNALOX5SMN1; SMN2CYP3A4CYP2C9
SCHEMBL29090079 0.74 CRBN (0.55) CRBNALOX5PLD1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL23124125 0.74 DDB1 (0.46) CRBNALOX5SMN1; SMN2CYP3A4CYP2C9
SCHEMBL19913877 0.73 AR (0.50) PLD1SMN1; SMN2ALDH1A1CYP2D6TSHR
SCHEMBL1161095 0.72 PLD1 (0.56) CRBNALOX5PLD1SMN1; SMN2ALDH1A1

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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 CRBN 4426/4885ALOX5 881/4885PLD1 637/4885

“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.