SCHEMBL13036360

SCHEMBL13036360

CO[C@H](c1ccc(F)cc1)[C@H](c1ccc(F)cc1)N1CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HSD11B1 P28845 1/20 0.34
TACR1 P25103 5/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
PER2 O15055 1/20 0.33
CRY2 Q49AN0 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33

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
SCHEMBL13084648 1.00 ADRA1A (0.38) ADRA1AADRA1BHSD11B1TACR1ALDH1A1
SCHEMBL13036361 1.00 ADRA1A (0.38) ADRA1AADRA1BHSD11B1TACR1ALDH1A1
SCHEMBL13036357 0.95 CHRM2 (0.39) ADRA1AADRA1BTACR1
SCHEMBL13036386 0.95 CHRM2 (0.39) ADRA1AADRA1BTACR1
SCHEMBL13036356 0.95 CHRM2 (0.39) ADRA1AADRA1BTACR1
SCHEMBL13084710 0.95 CHRM2 (0.39) ADRA1AADRA1BTACR1
SCHEMBL13036387 0.95 CHRM2 (0.39) ADRA1AADRA1BTACR1
SCHEMBL13036382 0.91 HSD11B1 (0.36) ADRA1AADRA1BHSD11B1TACR1ALDH1A1
SCHEMBL13036385 0.91 HSD11B1 (0.36) ADRA1AADRA1BHSD11B1TACR1ALDH1A1
SCHEMBL13084696 0.91 HSD11B1 (0.36) ADRA1AADRA1BHSD11B1TACR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825264-B2 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-7825264-B2 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2008-08-07 US disclosed
US-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them SANOFI-AVENTIS (FR) 2008-08-07 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-20080188520-A1 Substituted heterocycles, their use as medicament, and pharmaceutical preparations comprising them KCNH1, MLLT3, CYP1A2 ADRA1A 249/4885ADRA1B 305/4885HSD11B1 1098/4885

“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.