SCHEMBL8510040

SCHEMBL8510040

Cn1ncnc1CN(CC1C[C@@H]2CN(c3ccc(-c4ccc(F)cc4)cn3)C[C@@H]2C1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.36
DRD4 P21917 2/20 0.36
HTR2A P28223 2/20 0.36
SLC6A4 P31645 2/20 0.36
DRD3 P35462 2/20 0.36
GRM1 Q13255 1/20 0.35
MCHR1 Q99705 2/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
AOC3 Q16853 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
RET P07949 8/20 0.32
ACACB O00763 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
CHRNA7 P36544 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL8510035 1.00 HTR1A (0.36) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL8509249 0.80 GRM1 (0.36) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL8509251 0.80 GRM1 (0.36) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL8509236 0.79 PIM1 (0.34) HCRTR1HCRTR2
SCHEMBL8510755 0.78 AOC3 (0.35) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL8510749 0.78 AOC3 (0.35) HTR1ADRD4HTR2ASLC6A4DRD3
SCHEMBL8511686 0.74 SLC6A9 (0.31) KCNH2
SCHEMBL8513249 0.73 RET (0.40) RET
SCHEMBL8513245 0.73 RET (0.40) RET
SCHEMBL16174433 0.72 GRM1 (0.43) HTR1ADRD4HTR2ASLC6A4DRD3

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-20120136026-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 US claimed
US-20120136026-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 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-20120136026-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CA9, SCN9A, CCR9 HTR1A 3736/4885DRD4 1734/4885HTR2A 4660/4885

“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.