SCHEMBL4451971

SCHEMBL4451971

O=C(Cc1c[nH]c2ccccc12)Oc1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.57
HTR1A P08908 2/20 0.57
HTR1B P28222 2/20 0.57
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.50
DNMT1 P26358 3/20 0.48
TACR1 P25103 1/20 0.48
TACR3 P29371 1/20 0.48
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6072594 0.83 HRH3 (0.58) HRH3LMNADNMT1MAPTMEN1
SCHEMBL4454584 0.83 HRH3 (0.58) HRH3LMNADNMT1MAPTMEN1
SCHEMBL9660764 0.80 HRH3 (0.64) HRH3LMNAMAPTMEN1KMT2A
SCHEMBL2003499 0.78 MAPT (0.68) HRH3LMNAMAPTMEN1KMT2A
SCHEMBL4457014 0.77 HRH3 (0.52) HRH3LMNADNMT1MAPTMEN1
SCHEMBL9418839 0.74 HRH3 (0.67) HRH3LMNAMAPTMEN1KMT2A
SCHEMBL11136033 0.73 PKM (0.69) HRH3LMNAMAPTMEN1KMT2A
SCHEMBL24746495 0.71 ADRA2A (0.69) HTR1AHTR1BHTR2AHTR2CHTR2B
SCHEMBL10877286 0.70 HRH3 (0.57) HRH3HTR1AHTR2AHTR2CHTR2B
SCHEMBL1673861 0.70 MAPT (0.73) GAAMAPTMEN1KMT2AACHE

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
JP-10087567-A None JP disclosed
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders MICROBIA, INC. (US) 2009-02-26 US disclosed
WO-2006102069-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-09-28 WO disclosed
US-20040086537-A1 Prophylactic or threapeutic composition for ocular circulation disorders INOUE JUN (JP) 2004-05-06 US disclosed
EP-1224945-A1 TENSION-RELIEVING AGENTS FOR CILIARY MUSCLE Senju Pharmaceutical Co., Ltd. (JP) 2002-07-24 EP disclosed
EP-1112749-A2 PREVENTIVES OR REMEDIES FOR EYE CIRCULATORY FAILURE Senju Pharmaceutical Co., Ltd. (JP) 2001-07-04 EP disclosed
JP-H1087567-A PHENOL ESTER DERIVATIVE, ITS PRODUCTION AND USE TAKEDA CHEM IND LTD 1998-04-07 JP 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-20040086537-A1 Prophylactic or threapeutic composition for ocular circulation disorders CMA1, THOP1, TPSAB1 HRH3 804/4885HTR1A 632/4885HTR1B 895/4885
US-20090054319-A1 Methods and Compositions for the Treatment of Hypertension and Gastrointestinal Disorders PTGIS, PTGIR, GRPR HRH3 85/4885HTR1A 310/4885HTR1B 245/4885

“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.