SCHEMBL14409236

SCHEMBL14409236

CCCOc1ccc(F)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
HTR2A P28223 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
SLC6A4 P31645 1/20 0.42
ESR1 P03372 4/20 0.42
CSNK2A1 P68400 2/20 0.41

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
SCHEMBL15223509 0.91 ESR1 (0.51) HTR2CHTR2BHTR2AMRGPRX4ALDH1A1
SCHEMBL21653636 0.90 MRGPRX4 (0.49) HTR2CHTR2BHTR2AMRGPRX4ALDH1A1
SCHEMBL12301113 0.89 ESR1 (0.51) MRGPRX4ALDH1A1GAAMAPTESR1
SCHEMBL23677886 0.88 MRGPRX4 (0.51) MRGPRX4ALDH1A1KDM4ETP53SLC6A4
SCHEMBL21653635 0.88 MRGPRX4 (0.48) MRGPRX4ALDH1A1KDM4EGAAKMT2A
SCHEMBL13069271 0.85 FFAR1 (0.47) HTR2CHTR2BHTR2AALDH1A1KDM4E
SCHEMBL8232376 0.84 HTT (0.48) MRGPRX4ALDH1A1KDM4EMAPTHTT
SCHEMBL21601443 0.83 ESR1 (0.49) HTR2CHTR2BHTR2AMRGPRX4KDM4E
SCHEMBL10078701 0.83 MRGPRX4 (0.48) HTR2CHTR2BMRGPRX4ALDH1A1KDM4E
SCHEMBL7368747 0.83 MRGPRX4 (0.44) MRGPRX4ALDH1A1KDM4EKMT2AMAPT

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
EP-2500345-B1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2015-01-28 EP disclosed
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 US disclosed
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 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-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists ADRA1D, ADRA1A, ADRB1 HTR2C 222/4885HTR2B 431/4885HTR2A 203/4885

“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.