Sugi Predict

Sugi Predict / Compounds / SCHEMBL13036348

SCHEMBL13036348

SCHEMBL13036348

O=C1CCCN1[C@H](c1ccccc1)[C@@H](OCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ CHRM2 P08172 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ TACR1 P25103 2/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ LMNA P02545 5/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ SLC22A1 O15245 1/20 0.39

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
SCHEMBL13036347 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL13036305 0.98 CHRNB2 (0.42) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL13036301 0.98 CHRNB2 (0.42) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL13036263 0.93 LMNA (0.43) TACR1ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL13036262 0.93 LMNA (0.43) TACR1ALDH1A1LMNACYP1A2CYP2C19
SCHEMBL13036311 0.91 TDP1 (0.43) CHRNB2CHRNA4CHRM2CHRM1CHRM4
SCHEMBL13036309 0.91 TDP1 (0.43) CHRNB2CHRNA4CHRM2CHRM1CHRM4
SCHEMBL13036294 0.89 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL13036293 0.89 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3CHRM2CHRM1
SCHEMBL13036333 0.87 CHRM2 (0.40) SLC6A2SLC6A4SLC6A3CHRM2CHRM1

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 SLC6A2 2593/4885SLC6A4 3790/4885SLC6A3 3524/4885

“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.