SCHEMBL30623398

SCHEMBL30623398

Cc1ccc2c(c1)C1(CCNCC1)SC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
OPRM1 P35372 2/20 0.37
KDM1A O60341 1/20 0.36
EPHX2 P34913 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
HTR5A P47898 2/20 0.32
HTR2C P28335 3/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
TACR1 P25103 1/20 0.31

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
SCHEMBL25359203 1.00 CYP1A2 (0.40) CYP1A2POLBCYP3A4CYP2C19OPRM1
SCHEMBL761954 0.77 HTR2A (0.43) OPRM1KDM1AHTR2CHTR2A
Hydrochloric Acid SCHEMBL7497932 0.76 HTR2A (0.42) OPRM1HTR2CHTR2A
SCHEMBL12884490 0.69 KDM1A (0.46) OPRM1KDM1APARP1PARP10HTR5A
SCHEMBL26442432 0.68 OPRM1 (0.50) CYP1A2POLBCYP3A4CYP2C19OPRM1
SCHEMBL1588901 0.67 AVPR1A (0.38) OPRM1KDM1APARP1PARP10
SCHEMBL25359560 0.66 POLB (0.42) POLBOPRM1
SCHEMBL3182909 0.66 CYP1A2 (0.53) CYP1A2POLBCYP3A4CYP2C19OPRM1
SCHEMBL1266110 0.66 SIGMAR1 (0.46) OPRM1KDM1AGABRDGABRA1GABRB1
SCHEMBL26008714 0.65 KDM1A (0.40) OPRM1KDM1APARP1PARP10HTR2A

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 3 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

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 CYP1A2 4422/4885POLB 2559/4885CYP3A4 4469/4885

“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.