SCHEMBL433152

SCHEMBL433152

CC(C)(C)[Si](C)(C)O[C@H]1CNC(c2cccc(F)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
RIPK1 Q13546 2/20 0.34
CA1 P00915 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
IDO1 P14902 1/20 0.34
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
KMT2A Q03164 2/20 0.33
HTR7 P34969 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KIF11 P52732 2/20 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
SCHEMBL451170 1.00 HTR2A (0.35) HTR2AHTR2CHTR2BRIPK1CA1
SCHEMBL431587 1.00 HTR2A (0.35) HTR2AHTR2CHTR2BRIPK1CA1
SCHEMBL17870944 0.84 BUB1 (0.34) HTR2BKMT2ASLC6A2SLC6A3
SCHEMBL2912280 0.84 BUB1 (0.34) HTR2BKMT2ASLC6A2SLC6A3
SCHEMBL19512616 0.84 BUB1 (0.34) HTR2BKMT2ASLC6A2SLC6A3
SCHEMBL18555660 0.82 KCNH2 (0.32)
SCHEMBL20220410 0.80 KDM1A (0.36) HTR2AHTR2CHTR2BCA1
SCHEMBL16309084 0.80 KDM1A (0.36) HTR2AHTR2CHTR2BCA1
SCHEMBL19909857 0.80 HTR2A (0.38) HTR2AHTR2CHTR2BCA1MAOB
Hydrochloric Acid SCHEMBL15017029 0.79 KDM1A (0.35) HTR2AHTR2CHTR2BCA1

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
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 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-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K HTR2A 4025/4885HTR2C 4181/4885HTR2B 4623/4885

“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.