SCHEMBL26027596

SCHEMBL26027596

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.51
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
HPGD P15428 1/20 0.49
MGLL Q99685 1/20 0.48
PYCR1 P32322 1/20 0.48
MAOB P27338 1/20 0.47
ACHE P22303 1/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
GHSR Q92847 1/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44

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
SCHEMBL23972322 0.82 SLC6A2 (0.55) TRPV1MGLLPYCR1ACHESLC6A2
SCHEMBL10397484 0.81 PYCR1 (0.50) TRPV1MGLLPYCR1ACHESLC6A2
SCHEMBL12251783 0.80 HPGD (0.72) HPGDMEN1KMT2ATDP1
SCHEMBL29565966 0.79 SLC6A2 (0.56) TRPV1MGLLPYCR1ACHESLC6A2
SCHEMBL16377075 0.79 PYCR1 (0.52) MMP9MMP8PYCR1MAOBACHE
SCHEMBL12251789 0.78 HPGD (0.44) HPGDMEN1KMT2ATDP1
SCHEMBL5552668 0.77 MC4R (0.63) MMP9MMP8HPGDMAOBACHE
SCHEMBL7920491 0.77 MC4R (0.63) MMP9MMP8HPGDMAOBACHE
SCHEMBL4089366 0.77 PSMB5 (0.57) TRPV1HPGDMGLLPYCR1ACHE
SCHEMBL26027586 0.77 MEN1 (0.55) HPGDMGLLMEN1KMT2ATDP1

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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 US disclosed
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES RAQUALIA PHARMA INC. (JP) 2023-08-17 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 (2 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-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 TRPV1 2/4885MMP9 4033/4885MMP8 3247/4885
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES TRPV4, TRPV5, TRPV2 TRPV1 7/4885MMP9 1722/4885MMP8 2984/4885

“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.