SCHEMBL4755186

SCHEMBL4755186

CNC(C)c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.41
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
KRAS P01116 2/20 0.38
SOS1 Q07889 2/20 0.38
CASR P41180 2/20 0.34
KLRK1 P26718 1/20 0.34
MICA Q29983 1/20 0.34
RAET1L Q5VY80 1/20 0.34
PDE2A O00408 1/20 0.34
CNR2 P34972 5/20 0.33
SLC13A3 Q8WWT9 1/20 0.33
KMT2A Q03164 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
AHR P35869 1/20 0.33
CNR1 P21554 4/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL15211303 1.00 RAPGEF4 (0.41) RAPGEF4HTR2ASLC6A4KCNH2KRAS
SCHEMBL15211468 1.00 RAPGEF4 (0.41) RAPGEF4HTR2ASLC6A4KCNH2KRAS
SCHEMBL3154962 0.87 MAPT (0.40) RAPGEF4HTR2ASLC6A4KCNH2KRAS
SCHEMBL1432906 0.87 MAPT (0.40) RAPGEF4HTR2ASLC6A4KCNH2KRAS
SCHEMBL2365906 0.87 MAPT (0.40) RAPGEF4HTR2ASLC6A4KCNH2KRAS
Hydrochloric Acid SCHEMBL2512455 0.85 IDO1 (0.40) RAPGEF4HTR2ASLC6A4KCNH2KRAS
Hydrochloric Acid SCHEMBL3138452 0.85 IDO1 (0.40) RAPGEF4HTR2ASLC6A4KCNH2KRAS
Hydrochloric Acid SCHEMBL2487638 0.85 IDO1 (0.40) RAPGEF4HTR2ASLC6A4KCNH2KRAS
SCHEMBL15215514 0.81 RAPGEF4 (0.41) RAPGEF4HTR2ASLC6A4KCNH2KRAS
SCHEMBL15215511 0.81 HTR2A (0.35) HTR2ASLC6A4KCNH2KRASSOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104245702-B New type nerve kassinin kinin 1 receptor agonist compounds 利奥制药有限公司 2016-09-14 CN disclosed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 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-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR RAPGEF4 737/4885HTR2A 277/4885SLC6A4 432/4885

“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.