SCHEMBL2384221

SCHEMBL2384221

NC(=O)N1CCNCC1c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
TACR1 P25103 11/20 0.47
HTR2C P28335 4/20 0.46
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR1D P28221 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 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
SCHEMBL2385456 0.87 TACR1 (0.53) TACR1HTR2CHTR2AHTR2B
SCHEMBL3911430 0.85 RIPK1 (0.47) TACR1HTR2CALDH1A1HTR2AHTR2B
Hydrochloric Acid SCHEMBL28230853 0.81 MAOB (0.57) ALDH1A1MAPT
SCHEMBL1693684 0.81 HTR2C (0.42) TACR1HTR2CHTR2AHTR2B
SCHEMBL16644630 0.80 SLC6A9 (0.64)
SCHEMBL2386164 0.80 DPP4 (0.47) HTR2CSIGMAR1HTR2AHTR2B
Hydrochloric Acid SCHEMBL28773228 0.79 DPP4 (0.46) HTR2CHTR2AHTR2B
SCHEMBL11464906 0.76 HTR1A (0.47) HTR1AHTR2CHTR3EHTR3BALDH1A1
SCHEMBL11376776 0.76 HTR1A (0.47) HTR1ATACR1HTR2CHTR3EHTR3B
SCHEMBL20556025 0.75 DPP4 (0.41) TACR1HTR2CHTR2AHTR2B

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 HTR1A 3231/4885TACR1 2218/4885HTR2C 2851/4885

“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.