SCHEMBL449680

SCHEMBL449680

CC(N)Cc1cc(F)c(F)c(F)c1F

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.40
TAAR1 Q96RJ0 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
SCHEMBL455119 0.82 HTR2A (0.44) DPP4HTR2AHTR2CTAAR1
SCHEMBL438764 0.82 HTR2A (0.44) DPP4HTR2AHTR2CTAAR1
SCHEMBL455108 0.79 SLC6A2 (0.41) DPP4HTR2AHTR2CTAAR1
SCHEMBL14071704 0.78 DPP4 (0.70) DPP4HTR2AHTR2CTAAR1
Hydrochloric Acid SCHEMBL3121618 0.77 DPP4 (0.68) DPP4HTR2AHTR2C
SCHEMBL14478243 0.75 DPP4 (0.41) DPP4HTR2AHTR2CTAAR1
SCHEMBL14478251 0.74 SLC6A2 (0.46) HTR2AHTR2CTAAR1
SCHEMBL438633 0.74 DPP4 (0.44) DPP4HTR2AHTR2CTAAR1
SCHEMBL14478295 0.74 SLC6A2 (0.46) HTR2AHTR2CTAAR1
SCHEMBL439681 0.74 DPP4 (0.44) DPP4HTR2AHTR2CTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
WO-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 WO disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 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 (2 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-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 DPP4 2274/4885HTR2A 4642/4885HTR2C 4528/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 DPP4 2274/4885HTR2A 4642/4885HTR2C 4528/4885

“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.