SCHEMBL1322306

SCHEMBL1322306

Cc1ccccc1C(=O)N[C@H](C)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP2D6 P10635 1/20 0.64
MMP9 P14780 1/20 0.59
PDE2A O00408 2/20 0.57
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KAT6A Q92794 1/20 0.50
CNR2 P34972 1/20 0.49
HPGDS O60760 2/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CYP3A4 P08684 1/20 0.47
HTT P42858 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
SCHEMBL1325582 1.00 CYP1A2 (0.64) CYP1A2CYP2C19CYP2D6MMP9PDE2A
SCHEMBL1322600 1.00 CYP1A2 (0.64) CYP1A2CYP2C19CYP2D6MMP9PDE2A
SCHEMBL1321337 0.86 ALDH1A1 (0.68) CYP1A2CYP2C19CYP2D6MMP9PDE2A
SCHEMBL1318551 0.86 MMP9 (0.59) CYP1A2CYP2C19CYP2D6MMP9PDE2A
SCHEMBL1321211 0.84 SMN1; SMN2 (0.67) CYP1A2CYP2C19CYP2D6MMP9PDE2A
SCHEMBL1321801 0.83 MMP9 (0.57) CYP1A2CYP2C19CYP2D6MMP9PDE2A
SCHEMBL1321134 0.83 KAT6A (0.48) CYP1A2CYP2C19CYP2D6MMP9ALDH1A1
SCHEMBL1320235 0.82 HPGD (0.71) MMP9PDE2AALDH1A1MEN1KMT2A
SCHEMBL1320898 0.82 KDM4E (0.52) CYP1A2CYP2C19CYP2D6ALDH1A1LMNA
SCHEMBL16348943 0.82 ALDH1A1 (0.71) CYP1A2CYP2C19CYP2D6ALDH1A1LMNA

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
WO-2021189046-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF SARS-COV-2 UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2021-09-23 WO disclosed
US-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-11-03 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-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES SARS1, ACE2, ACE CYP1A2 543/4885CYP2C19 969/4885CYP2D6 1202/4885

“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.