SCHEMBL455108

SCHEMBL455108

CC(N)Cc1ccc(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
DPP4 P27487 1/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL14718759 0.84 SLC6A2 (0.38) SLC6A2SLC6A3HTR2AHTR2C
SCHEMBL8349146 0.83 CTSS (0.42) DPP4FAPDPP8DPP9DPP7
SCHEMBL8092360 0.82 SLC6A2 (0.47) SLC6A2SLC6A3DPP4HTR2AHTR2C
SCHEMBL9579981 0.81 DPP4 (0.38) DPP4FAPDPP8DPP9DPP7
SCHEMBL14126137 0.80 HTR2A (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL14126136 0.80 SLC6A2 (0.46) SLC6A2SLC6A3DPP4FAPDPP8
SCHEMBL449680 0.79 DPP4 (0.46) DPP4HTR2AHTR2CTAAR1
Bromide SCHEMBL28974690 0.79 DPP4 (0.37) DPP4FAPDPP8DPP9DPP7
SCHEMBL10557829 0.76 DPP4 (0.38) DPP4FAPDPP8DPP9DPP7
SCHEMBL1426108 0.76 TAAR1 (0.42) SLC6A2SLC6A3TAAR1SLC6A4SIGMAR1

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 SLC6A2 4370/4885SLC6A3 3199/4885DPP4 2274/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 SLC6A2 4370/4885SLC6A3 3199/4885DPP4 2274/4885

“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.