SCHEMBL4574838

SCHEMBL4574838

CC(C)(C)NC(=O)C(N)Cc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
FCER2 P06734 2/20 0.51
MMP9 P14780 2/20 0.51
OPRD1 P41143 1/20 0.49
DPP4 P27487 1/20 0.48
CTSC P53634 1/20 0.47
NLN Q9BYT8 1/20 0.47
MME P08473 2/20 0.47
ACE P12821 2/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
VNN1 O95497 1/20 0.46
MMP1 P03956 1/20 0.46
MMP13 P45452 1/20 0.46
ADAM17 P78536 1/20 0.46

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
SCHEMBL30702234 0.88 HTR2A (0.49) HTR2AHTR2CHTR2BFCER2MMP9
SCHEMBL5966495 0.84 HTR2A (0.57) HTR2AHTR2CHTR2BFCER2MMP9
SCHEMBL5557678 0.84 HTR2A (0.57) HTR2AHTR2CHTR2BFCER2MMP9
SCHEMBL24455839 0.83 OPRD1 (0.50) HTR2AHTR2CHTR2BFCER2MMP9
Hydrochloric Acid SCHEMBL5556491 0.83 HTR2A (0.55) HTR2AHTR2CHTR2BFCER2MMP9
SCHEMBL24455558 0.82 CSK (0.55) HTR2AHTR2CHTR2BFCER2MMP9
SCHEMBL22369889 0.82 ALPI (0.58) CTSC
SCHEMBL12234221 0.82 ALPI (0.58) CTSC
SCHEMBL16724762 0.81 HTR2A (0.57) HTR2AHTR2CHTR2BFCER2MMP9
SCHEMBL10665621 0.81 MMP9 (0.47) HTR2AHTR2CHTR2BFCER2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof JERINI AG (DE) 2008-08-14 US disclosed
EP-1703912-A1 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF Jerini AG (DE) 2006-09-27 EP disclosed
WO-2005063259-A1 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2005-07-14 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-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof CCNB1, CCNB2, CCNA1 HTR2A 4056/4885HTR2C 4167/4885HTR2B 3009/4885

“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.