SCHEMBL28047073

SCHEMBL28047073

CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.53
CFTR P13569 1/20 0.48
HDAC2 Q92769 3/20 0.47
AAK1 Q2M2I8 1/20 0.45
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL272400 0.89 RXFP1 (0.53) RXFP1CFTRAAK1KMT2AMAPT
SCHEMBL29430810 0.89 RXFP1 (0.53) RXFP1CFTRAAK1KMT2AMAPT
SCHEMBL28175979 0.84 RXFP1 (0.54) RXFP1KMT2AMAPTMEN1HTT
SCHEMBL28797274 0.84 RXFP1 (0.54) RXFP1KMT2AMAPTMEN1HTT
SCHEMBL1007870 0.83 RXFP1 (0.53) RXFP1KMT2AMAPTMEN1HTT
SCHEMBL29549489 0.82 HDAC1 (0.50) RXFP1HDAC2AAK1HDAC1HDAC3
SCHEMBL29803307 0.82 RXFP1 (0.55) RXFP1KMT2AMAPTMEN1HTT
SCHEMBL7667607 0.82 RXFP1 (0.55) RXFP1KMT2AMAPTMEN1HTT
SCHEMBL826795 0.82 HDAC1 (0.50) RXFP1HDAC2AAK1HDAC1HDAC3
SCHEMBL3407965 0.82 HPGD (0.49) HDAC2AAK1HDAC1HDAC3CYP1A2

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
CN-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 CN disclosed
US-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF SANOFI (FR) 2022-10-20 US disclosed
CN-111479813-A Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2020-07-31 CN disclosed
CN-105307657-A Heteroaryl compounds and uses thereof CELGENE AVILOMICS RES INC 2016-02-03 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-20220332687-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 RXFP1 4513/4885CFTR 306/4885HDAC2 1013/4885

“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.