Sugi Predict

Sugi Predict / Compounds / SCHEMBL13036404

SCHEMBL13036404

SCHEMBL13036404

COc1ccc(CO[C@@H](c2ccc(F)cc2)[C@H](c2ccccc2)N2CCCC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ LMNA P02545 5/20 0.39
▸ HTT P42858 4/20 0.39
▸ NPSR1 Q6W5P4 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MITF O75030 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ KLK7 P49862 1/20 0.37
▸ CHRM2 P08172 1/20 0.37

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
SCHEMBL13036403 1.00 FFAR1 (0.41) FFAR1TACR1LMNAHTTNPSR1
SCHEMBL13036402 0.96 TACR1 (0.44) FFAR1TACR1LMNAHTTNPSR1
SCHEMBL13036401 0.96 TACR1 (0.44) FFAR1TACR1LMNAHTTNPSR1
SCHEMBL13036420 0.92 CHRM2 (0.41) TACR1LMNANPSR1ALDH1A1MAPT
SCHEMBL13036293 0.91 SLC6A4 (0.41) TACR1LMNAHTTNPSR1KMT2A
SCHEMBL13036294 0.91 SLC6A4 (0.41) TACR1LMNAHTTNPSR1KMT2A
SCHEMBL13036309 0.90 TDP1 (0.43) LMNAALDH1A1MAPTKLK7CHRM2
SCHEMBL13036311 0.90 TDP1 (0.43) LMNAALDH1A1MAPTKLK7CHRM2
SCHEMBL13036285 0.89 TACR1 (0.41) FFAR1TACR1HTTKMT2AMEN1
SCHEMBL13084643 0.89 TACR1 (0.41) FFAR1TACR1HTTKMT2AMEN1

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-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
EP-1899320-B1 SUBSTITUTED PYRR0LIDIN-2-0NES , PIPERIDIN-2-0NES AND ISOTHIAZOLIDINE-1, 1-DIOXIDES, THEIR USE AS KV1 .5 POTASSIUM CHANNEL BLOCKERS AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM SANOFI AVENTIS (FR) 2010-10-20 — — EP 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 FFAR1 1718/4885TACR1 436/4885LMNA 490/4885

“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.