SCHEMBL25875911

SCHEMBL25875911

O=C(NCCCN1CCOCC1)c1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc3ccccc3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
NAMPT P43490 4/20 0.56
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TSHR P16473 1/20 0.51
EPHX2 P34913 2/20 0.50
MAPT P10636 1/20 0.49
SLC6A4 P31645 3/20 0.48
SLC6A2 P23975 2/20 0.48
POLB P06746 1/20 0.48
DRD3 P35462 1/20 0.48
JAK1 P23458 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
SCHEMBL25875892 0.95 CYP1A2 (0.64) CYP1A2CYP2D6CYP2C19ALDH1A1EPHX2
SCHEMBL21845767 0.89 JAK2 (0.57) NAMPTSMN1; SMN2TSHRJAK1
SCHEMBL21845749 0.84 JAK2 (0.59) CYP1A2CYP2D6CYP2C19NAMPTEPHX2
SCHEMBL25875908 0.83 NPC1 (0.69) ALDH1A1SMN1; SMN2POLB
SCHEMBL4872075 0.77 SIGMAR1 (0.68) CYP2D6CYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL25875912 0.76 RAB9A (0.54)
SCHEMBL25875900 0.75 EPHX1 (0.60) NAMPT
SCHEMBL22752150 0.75 JAK2 (0.61) NAMPTJAK1
SCHEMBL25875896 0.75 DRD4 (0.66) CYP1A2CYP2D6CYP2C19NAMPTTSHR
SCHEMBL25875888 0.74 MAOA (0.53) CYP1A2KDM4ESMN1; SMN2EPHX2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-07-20 US 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-20230227430-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, CHUK, MAP3K2 CYP1A2 4237/4885CYP2D6 4757/4885CYP2C19 4754/4885

“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.