SCHEMBL13627452

SCHEMBL13627452

N#Cc1ccc2c(c1)Sc1ccccc1/C2=C1\C[C@H]2CC[C@@H](C1)N2C(=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
PDK2 Q15119 3/20 0.37
LMNA P02545 3/20 0.35
CHRM2 P08172 2/20 0.35
HTR1A P08908 2/20 0.35
ADRA2A P08913 2/20 0.35
CHRM1 P11229 2/20 0.35
DRD1 P21728 2/20 0.35
TBXA2R P21731 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
ADRA1A P35348 2/20 0.35
OPRM1 P35372 2/20 0.35
DRD3 P35462 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KCNH2 Q12809 2/20 0.35
PGR P06401 1/20 0.35
ACHE P22303 1/20 0.35
PTGS1 P23219 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL3961373 1.00 MAPT (0.38) MAPTPDK2LMNACHRM2HTR1A
SCHEMBL3969118 1.00 MAPT (0.38) MAPTPDK2LMNACHRM2HTR1A
SCHEMBL3961123 0.85 CYP3A4 (0.35) MAPTPDK2CHRM2HTR1AADRA2A
SCHEMBL3966628 0.82 HSD17B1 (0.37) PDK2KDM1ASCDSCD5SETD7
SCHEMBL3961336 0.81 CYP3A4 (0.35) MAPTCHRM2HTR1AADRA2ACHRM1
SCHEMBL13627453 0.77 CYP3A4 (0.31) CYP3A4HTT
SCHEMBL4495772 0.77 CYP3A4 (0.31) CYP3A4HTT
SCHEMBL3965155 0.75 SLC6A2 (0.36) MAPTPDK2LMNACHRM2HTR1A
SCHEMBL3967453 0.74 GRM5 (0.35)
SCHEMBL3965754 0.68 AHR (0.34) PDK2SLC6A2SLC6A4SLC6A3SETD7

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
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 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-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRM1 MAPT 1930/4885PDK2 2376/4885LMNA 3650/4885

“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.