SCHEMBL30174754

SCHEMBL30174754

Clc1ccc2c(c1)CNCCO2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.53
HTR2A P28223 4/20 0.43
HTR2C P28335 4/20 0.43
HTR2B P41595 2/20 0.43
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
ACHE P22303 1/20 0.39
F2 P00734 1/20 0.38
MAP3K14 Q99558 2/20 0.37
RIPK1 Q13546 1/20 0.36
SSTR4 P31391 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL20565297 1.00 PNMT (0.53) PNMTHTR2AHTR2CHTR2BS1PR1
SCHEMBL8297212 0.81 OXTR (0.55) PNMTHTR2AHTR2CHTR2BMAP3K14
SCHEMBL19657715 0.80 S1PR1 (0.38) PNMTS1PR1S1PR3ACHE
SCHEMBL17927769 0.79 FABP6 (0.49) HTR2CS1PR1S1PR3ACHERIPK1
SCHEMBL2983125 0.79 PNMT (0.53) PNMTS1PR1S1PR3ACHEAHR
SCHEMBL31111402 0.79 MAPT (0.54) PNMTS1PR1S1PR3ACHERIPK1
SCHEMBL30644265 0.79 PNMT (0.53) PNMTS1PR1S1PR3ACHEAHR
SCHEMBL2060626 0.79 MAPT (0.44) S1PR1S1PR3ACHE
SCHEMBL8061138 0.79 MAPT (0.54) PNMTS1PR1S1PR3ACHERIPK1
Hydrochloric Acid SCHEMBL7485797 0.77 GAA (0.47) S1PR1S1PR3ACHE

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
CN-110913858-B Kinase inhibitors and uses thereof 戴纳立制药公司 2024-09-24 CN disclosed
US-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-25 US disclosed
EP-4132944-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2023-02-15 EP 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-20230159453-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION VIM, ACE, ACE2 PNMT 259/4885HTR2A 4837/4885HTR2C 4771/4885

“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.