SCHEMBL2404056

SCHEMBL2404056

CC(=O)C1CNCCN1c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.50
HTR2B P41595 9/20 0.50
HTR2A P28223 8/20 0.50
HTR6 P50406 1/20 0.42
NOTUM Q6P988 1/20 0.41
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
TACR1 P25103 1/20 0.40
AKR1C3 P42330 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL7262930 0.82 HTR2C (0.44) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL18600524 0.76 KMT2A (0.40) HTR2CHTR2BHTR2A
SCHEMBL4430749 0.74 HTR2C (0.49) HTR2CHTR2BHTR2AHTR6
SCHEMBL28059226 0.71 PLD1 (0.48) HTR2CHTR2BHTR2A
SCHEMBL27955445 0.70 ADRB1 (0.47) HTR2CHTR2BHTR2AHTR6TACR1
SCHEMBL2404066 0.69 HTR2C (0.54) HTR2CHTR2BHTR2ATACR1
SCHEMBL27856999 0.69 HTR2C (0.42) HTR2CHTR2BHTR2A
SCHEMBL5631228 0.68 HTR2C (0.52) HTR2CHTR2BHTR2AHTR6NOTUM
SCHEMBL5632309 0.68 HTR2C (0.52) HTR2CHTR2BHTR2AHTR6NOTUM
SCHEMBL5631221 0.68 HTR2C (0.52) HTR2CHTR2BHTR2AHTR6NOTUM

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-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR HTR2C 2851/4885HTR2B 2497/4885HTR2A 2212/4885

“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.