SCHEMBL3267877

SCHEMBL3267877

NNC(=O)CCCOc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.63
▸ HDAC2 Q92769 1/20 0.63
▸ TAAR1 Q96RJ0 1/20 0.60
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ HPGD P15428 3/20 0.59
▸ TSHR P16473 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ ALDH1A1 P00352 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ ALPL P05186 1/20 0.57
▸ ALPI P09923 1/20 0.57
▸ ALPG P10696 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HTT P42858 1/20 0.55

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
Hydrochloric Acid SCHEMBL5639911 0.98 HDAC1 (0.61) HDAC1HDAC2TAAR1MEN1KMT2A
SCHEMBL4412374 0.91 CYP1A2 (0.67) HDAC1HDAC2MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL7190843 0.89 CYP1A2 (0.65) HDAC1HDAC2MEN1KMT2ATSHR
SCHEMBL6189108 0.85 CYP1A2 (0.55) HDAC1HDAC2MEN1KMT2ATSHR
SCHEMBL15336407 0.84 HDAC1 (0.87) HDAC1HDAC2TAAR1MEN1KMT2A
SCHEMBL15903879 0.83 ALDH1A1 (0.47) HDAC1HDAC2TAAR1MEN1KMT2A
SCHEMBL4072168 0.83 CA1 (0.54) MAPK1L3MBTL1ALDH1A1LMNACYP3A4
SCHEMBL353032 0.82 HPGD (0.63) HDAC1HDAC2TAAR1MEN1KMT2A
SCHEMBL1326062 0.81 PARP10 (0.61) HDAC1HDAC2TAAR1HPGDL3MBTL1
SCHEMBL4411547 0.81 MMP3 (0.54) MEN1KMT2ATSHRL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299104-B2 Melanin hormone antagonist; therapy for obesity, type-2 diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-30 — — US disclosed
EP-1711494-B1 ARYL SUBSTITUTED HETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-06-09 — — EP disclosed
US-20080207707-A1 ARYL-SUBSTITUTED HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-08-28 — — US disclosed
US-7319108-B2 Aryl-substituted heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-15 — — US disclosed
EP-1711494-A1 ARYL SUBSTITUTED HETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2006-10-18 — — EP disclosed
US-20050176710-A1 Aryl-substituted heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-11 — — US disclosed
WO-2005070925-A1 ARYL SUBSTITUTED HETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-08-04 — — WO 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 (2 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-20080207707-A1 ARYL-SUBSTITUTED HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS CYP11B1, CYP11B2, GPR119 HDAC1 975/4885HDAC2 1035/4885TAAR1 1394/4885
US-20050176710-A1 Aryl-substituted heterocycles, process for their preparation and their use as medicaments CYP11B1, CYP11B2, GPR119 HDAC1 975/4885HDAC2 1035/4885TAAR1 1394/4885

“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.

Send feedback