SCHEMBL2384859

SCHEMBL2384859

CCc1cc(CC)cc(C2CNCCN2C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.45
HTR2C P28335 11/20 0.45
HTR2B P41595 11/20 0.45
CYP3A4 P08684 1/20 0.43
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 1/20 0.36
TACR1 P25103 5/20 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
SCHEMBL2386590 0.79 HTR2C (0.40) HTR2AHTR2CHTR2BCYP3A4DPP4
SCHEMBL20556025 0.79 DPP4 (0.41) HTR2AHTR2CHTR2BDPP4DPP7
SCHEMBL794507 0.76 DPP4 (0.43) HTR2AHTR2CHTR2BDPP4DPP7
SCHEMBL2385456 0.76 TACR1 (0.53) HTR2AHTR2CHTR2BTACR1
SCHEMBL2386164 0.76 DPP4 (0.47) HTR2AHTR2CHTR2BDPP4DPP7
SCHEMBL1693684 0.75 HTR2C (0.42) HTR2AHTR2CHTR2BDPP4DPP7
Hydrochloric Acid SCHEMBL28773228 0.74 DPP4 (0.46) HTR2AHTR2CHTR2BDPP4DPP7
SCHEMBL16462634 0.73 MAOA (0.42) HTR2AHTR2CHTR2BDPP4DPP7
SCHEMBL20555983 0.73 DPP4 (0.36) HTR2AHTR2CHTR2BDPP4DPP7
SCHEMBL13860379 0.73 DPP4 (0.43) HTR2AHTR2CHTR2BDPP4DPP7

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 HTR2A 2212/4885HTR2C 2851/4885HTR2B 2497/4885

“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.