SCHEMBL25358403

SCHEMBL25358403

O=C1NC2(CCNCC2)c2cc(Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.46
CES1 P23141 2/20 0.44
PPOX P50336 1/20 0.43
AKR1A1 P14550 2/20 0.43
AKR1B1 P15121 2/20 0.43
F7 P08709 1/20 0.41
PARP1 P09874 1/20 0.41
F3 P13726 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TGM2 P21980 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TDP2 O95551 1/20 0.38
USP2 O75604 1/20 0.38
DRD2 P14416 1/20 0.37
CMA1 P23946 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL31415672 1.00 PDE7A (0.46) PDE7ACES1PPOXAKR1A1AKR1B1
SCHEMBL12077740 0.90 PDE7A (0.50) PDE7ACES1PPOXAKR1A1AKR1B1
SCHEMBL654703 0.77 TNKS (0.44) PDE7A
Hydrochloric Acid SCHEMBL6819759 0.76 TNKS (0.43) PDE7A
SCHEMBL11148642 0.75 PDE7A (0.43) PDE7AAKR1A1AKR1B1HTR2AHTR2C
Hydrochloric Acid SCHEMBL11152632 0.74 PDE7A (0.42) PDE7AAKR1A1AKR1B1HTR2AHTR2C
SCHEMBL1953364 0.72 CES1 (0.44) PDE7ACES1PPOXF7PARP1
SCHEMBL2188488 0.72 PGR (0.40) PDE7ACES1PPOXAKR1A1AKR1B1
SCHEMBL14992125 0.71 PPOX (0.50) CES1PPOXAKR1A1AKR1B1F7
SCHEMBL15005805 0.71 PARP10 (0.42) PDE7ACES1AKR1B1PARP1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250195483-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMA (US) 2025-06-19 US disclosed
EP-4476207-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2024-12-18 EP disclosed
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO 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-20250195483-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, SAAL1 PDE7A 4335/4885CES1 2193/4885PPOX 1410/4885

“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.