SCHEMBL24099201

SCHEMBL24099201

O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.55
APOL1 O14791 1/20 0.53
MTNR1A P48039 2/20 0.49
MTNR1B P49286 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CXCR2 P25025 1/20 0.48
PPARG P37231 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47

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
SCHEMBL24098987 0.93 APOL1 (0.60) TACR1APOL1CXCR2PPARG
SCHEMBL24099292 0.87 APOL1 (0.58) APOL1CYP2C9CXCR2PPARG
SCHEMBL6929600 0.84 PPARG (0.66) TACR1APOL1KDM4EALDH1A1PPARG
SCHEMBL24907011 0.83 APOL1 (0.59) TACR1APOL1KDM4ECXCR2PPARG
SCHEMBL24099472 0.83 TACR1 (0.58) TACR1APOL1PPARGEGFRSRC
SCHEMBL24907159 0.82 APOL1 (0.51) TACR1APOL1CXCR2PPARG
SCHEMBL24099470 0.82 APOL1 (0.51) TACR1APOL1CXCR2PPARG
SCHEMBL24099131 0.80 APOL1 (0.60) TACR1APOL1CYP2C9CXCR2PPARG
SCHEMBL7231716 0.79 PPARG (0.60) TACR1CXCR2PPARGEGFR
SCHEMBL24098917 0.79 APOL1 (0.59) TACR1APOL1CYP2C9CXCR2PPARG

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-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-01-19 US disclosed
WO-2021252849-A1 INHIBITORS OF APOL1 AND USE OF THE SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-12-16 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-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, NPC1L1 TACR1 3857/4885APOL1 1/4885MTNR1A 3104/4885

“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.