SCHEMBL24252074

SCHEMBL24252074

CC(C)(C)Oc1c(F)ccc(F)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32
HTR2B P41595 4/20 0.32
TNF P01375 1/20 0.31
RIPK1 Q13546 1/20 0.31
SLC6A2 P23975 4/20 0.31
SLC6A4 P31645 4/20 0.31
SLC6A3 Q01959 4/20 0.31
CYP2D6 P10635 2/20 0.31
OXTR P30559 1/20 0.31

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
SCHEMBL23894376 0.75 HTR2A (0.38) HTR2AHTR2CHTR2BTNFRIPK1
SCHEMBL16638710 0.75 KMT2A (0.36) SLC6A2SLC6A4
SCHEMBL78627 0.70 TNF (0.34) HTR2AHTR2CHTR2BTNFRIPK1
SCHEMBL10212099 0.68 ACHE (0.44) HTR2AHTR2BSLC6A2SLC6A4CYP2D6
SCHEMBL24252062 0.68 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL12680312 0.68 CA1 (0.31)
SCHEMBL17294834 0.67 ABCB11 (0.45)
SCHEMBL6764184 0.67 SOS1 (0.44) HTR2ASLC6A4
SCHEMBL24252041 0.67 HTR2C (0.34) HTR2AHTR2CHTR2BRIPK1
SCHEMBL9847889 0.66 TNF (0.46) HTR2AHTR2CHTR2BTNFRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-02-17 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 (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-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof MAPK11, WEE1, NOS1 HTR2A 4415/4885HTR2C 3134/4885HTR2B 3455/4885

“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.