SCHEMBL25517995

SCHEMBL25517995

CC(=O)N1CC2(CCC(NC(C)C)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 4/20 0.37
EPHX1 P07099 1/20 0.37
CYP2D6 P10635 5/20 0.36
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 3/20 0.36
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C19 P33261 2/20 0.35
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL25009341 0.79 SMN1; SMN2 (0.41) EPHX2SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL25525838 0.78 EPHX2 (0.40) EPHX2SMN1; SMN2CYP3A4EPHX1CYP2D6
SCHEMBL26882152 0.77 HRH3 (0.32)
SCHEMBL23823374 0.77
SCHEMBL12258967 0.76 EPHX2 (0.59) EPHX2EPHX1CYP1A2
SCHEMBL23240355 0.76 SMN1; SMN2 (0.45) EPHX2SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL21134521 0.75 CYP3A4 (0.47) SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL21078057 0.75 CYP3A4 (0.47) SMN1; SMN2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL25157111 0.74 SMN1; SMN2 (0.44) EPHX2SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL23606580 0.74 TSHR (0.31) TSHRKDM4E

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-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 US disclosed
US-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2023-06-01 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-20230167133-A1 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 EPHX2 3475/4885SMN1; SMN2 976/4885CYP3A4 4456/4885

“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.