SCHEMBL18474155

SCHEMBL18474155

CC1OCc2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.38
HTR2A P28223 3/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PDE3A Q14432 1/20 0.37
SLC6A4 P31645 4/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 1/20 0.36
ACHE P22303 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
CHRNA7 P36544 1/20 0.36
SRD5A1 P18405 3/20 0.35
HTR2B P41595 2/20 0.34

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
SCHEMBL17193929 0.85 HTR2C (0.45) HTR2CHTR2ACA1CA2PDE3A
SCHEMBL19830046 0.79 KDM1A (0.35) HTR2CHTR2ACA1CA2PDE3A
SCHEMBL19827864 0.79 KDM1A (0.35) HTR2CHTR2ACA1CA2PDE3A
SCHEMBL19830045 0.79 KDM1A (0.35) HTR2CHTR2ACA1CA2PDE3A
SCHEMBL19827857 0.79 KDM1A (0.35) HTR2CHTR2ACA1CA2PDE3A
SCHEMBL15896884 0.78 SLC6A2 (0.37) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL13616555 0.78 SLC6A2 (0.37) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL30743773 0.78 SLC6A2 (0.37) HTR2CHTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL18469565 0.78 HTR2C (0.36) HTR2CHTR2ACA1CA2PDE3A
SCHEMBL10696858 0.77 HTR2C (0.44) HTR2CHTR2ASLC6A4SLC6A2CHRNB2

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
EP-3133071-A1 C-ARYL INDICAN DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USES THEREOF Shanghai De Novo Pharmatech Co Ltd. (CN) 2017-02-22 EP disclosed
US-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO. LTD. (CN) 2017-02-09 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-20170037038-A1 C- ARYL GLYCOSID DERIVATIVES, PHARMACEUTICAL COMPOSITION, PREPARATION PROCESS AND USES THEREOF SLC5A2, SLC5A1, MGAT1 HTR2C 1269/4885HTR2A 1802/4885CA1 1948/4885

“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.