SCHEMBL22169792

SCHEMBL22169792

CCN1CCC(CNC(=O)C(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.52
EPHX2 P34913 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 2/20 0.43
CACNA1I Q9P0X4 2/20 0.43
DPP4 P27487 1/20 0.41
PREP P48147 1/20 0.41
FAP Q12884 1/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP2D6 P10635 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
PMP22 Q01453 1/20 0.37

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
SCHEMBL22306015 0.94 EPHX1 (0.48) EPHX1EPHX2SMN1; SMN2KCNH2CACNA1I
SCHEMBL25089654 0.91 EPHX1 (0.46) EPHX1EPHX2SMN1; SMN2KCNH2CACNA1I
SCHEMBL16771662 0.90 TP53 (0.46) EPHX1EPHX2SMN1; SMN2KCNH2CACNA1I
SCHEMBL25089651 0.84 HSD11B1 (0.45) EPHX1EPHX2KCNH2CACNA1IDPP4
SCHEMBL9891801 0.83 MAPT (0.44) EPHX1EPHX2DPP4PREPFAP
SCHEMBL24865985 0.83 EPHX1 (0.41) EPHX1EPHX2KCNH2CACNA1IDPP4
SCHEMBL1107035 0.82 TDP1 (0.52) EPHX1EPHX2SMN1; SMN2DPP4PREP
SCHEMBL23709475 0.81 HTR4 (0.46) EPHX1EPHX2KCNH2CACNA1IDPP4
SCHEMBL9891913 0.81 EPHX2 (0.54) EPHX1EPHX2SMN1; SMN2DPP4PREP
SCHEMBL16306645 0.81 EPHX1 (0.56) EPHX1EPHX2SMN1; SMN2KCNH2CACNA1I

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-11220506-B2 Imidazo[1,5-a]pyrazine derivatives as PI3Kdelta inhibitors BEIGENE, LTD. (KY) 2022-01-11 US disclosed
US-20200207774-A1 IMIDAZO[1,5-A]PYRAZINE DERIVATIVES AS PI3KDELTA INHIBITORS BEONE MEDICINES I GMBH (CH) 2020-07-02 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 (2 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-20200207774-A1 IMIDAZO[1,5-A]PYRAZINE DERIVATIVES AS PI3KDELTA INHIBITORS PIK3CD, PIK3R5, PIK3CA EPHX1 4326/4885EPHX2 4316/4885SMN1; SMN2 3607/4885
US-11220506-B2 Imidazo[1,5-a]pyrazine derivatives as PI3Kdelta inhibitors PIK3CD, PIK3R5, PIK3CA EPHX1 4326/4885EPHX2 4316/4885SMN1; SMN2 3607/4885

“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.