SCHEMBL24098945

SCHEMBL24098945

CC(=O)NCCc1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.72
MTNR1B P49286 5/20 0.72
CYP1A2 P05177 2/20 0.72
CYP3A4 P08684 2/20 0.72
CYP2C9 P11712 2/20 0.72
HPGD P15428 2/20 0.72
CYP2C19 P33261 2/20 0.72
KDM4E B2RXH2 1/20 0.72
ALDH1A1 P00352 1/20 0.72
CYP2D6 P10635 1/20 0.72
HSD17B10 Q99714 1/20 0.72
MEN1 O00255 1/20 0.67
TSHR P16473 1/20 0.67
KMT2A Q03164 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
HDAC1 Q13547 1/20 0.63

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
SCHEMBL24099251 0.90 MTNR1A (0.61) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL2790131 0.86 MTNR1A (0.74) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL29759426 0.84 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL3508630 0.84 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL12648555 0.84 MTNR1A (0.69) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL1778456 0.83 MTNR1A (0.66) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL29868708 0.83 MTNR1A (0.66) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL30444072 0.83 HDAC1 (0.71) HDAC1
SCHEMBL13436463 0.83 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9
SCHEMBL6764471 0.82 NQO2 (0.74) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867532-A Inhibitors of APOL1 and uses thereof 弗特克斯药品有限公司 2023-03-28 CN disclosed
US-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-01-19 US disclosed
US-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-01-19 US disclosed
CN-114026080-A Conjugates containing compounds providing a pi-electron pair 阿森迪斯药物股份有限公司 2022-02-08 CN disclosed
WO-2021252849-A1 INHIBITORS OF APOL1 AND USE OF THE SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-12-16 WO disclosed
CN-112641767-A New application of synephrine 昆明理工大学 2021-04-13 CN disclosed
CN-111035637-A Application of N-acetyl-5-methoxy tryptamine, and related composition and culture medium 艾尔瑞斯贸易公司 2020-04-21 CN disclosed
CN-105744983-B Device and method for sustained release of therapeutic agents of low water solubility in solubilizing agents 纳米医学系统公司 2019-12-27 CN 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 MTNR1A 3104/4885MTNR1B 2778/4885CYP1A2 1500/4885

“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.