SCHEMBL4859900

SCHEMBL4859900

COc1cccc(CCOS(C)(=O)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
CHRM2 P08172 3/20 0.53
CHRM1 P11229 3/20 0.53
CHRM3 P20309 3/20 0.53
SIGMAR1 Q99720 1/20 0.50
AOC3 Q16853 1/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
CMA1 P23946 1/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
ALOX5 P09917 1/20 0.47
DAO P14920 1/20 0.47
TMEM97 Q5BJF2 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
SCHEMBL5709046 0.91 CHRM2 (0.54) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL24041795 0.90 MAOB (0.50) TAAR1CHRM2CHRM1CHRM3
SCHEMBL24041759 0.87 SLC2A1 (0.50) TAAR1
SCHEMBL8000451 0.87 FAAH (0.42) TAAR1CHRM2CHRM1CHRM3IDO1
SCHEMBL24041814 0.86 NPC1 (0.53)
SCHEMBL24041786 0.85 SLC2A1 (0.48) CHRM2CHRM1CHRM3MTNR1AMTNR1B
SCHEMBL5636631 0.83 IDO1 (0.59) TAAR1CHRM2CHRM1CHRM3CMA1
SCHEMBL24041826 0.81 MGLL (0.49) MTNR1AMTNR1B
SCHEMBL4851635 0.80 TAAR1 (0.50) TAAR1HRH3IDO1ALOX5DAO
SCHEMBL15042385 0.80 CA2 (0.43) ALOX5

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7320973-B2 Dihydrodiaryloxazepine derivative and pharmaceutical composition containing the same AJINOMOTO CO., INC. (JP) 2008-01-22 US disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-0714894-A1 3-(1,2,3,6-tetrahydro-(1-alkylenearyl)-4-pyridinyl)- and 3-(1-alkylenearyl)-4-piperidinyl-1h-indoles: new 5-HT1f agonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed
US-5521197-A ANALGESICS USING SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1996-05-28 US disclosed
EP-0256888-B1 BENZOTHIAZEPINE VASODILATORS HAVING ARALKYL SUBSTITUTION McNeilab, Inc. (US) 1991-07-03 EP disclosed
EP-0163416-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed
US-4751240-A ANTIFERTILITY AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-06-14 US disclosed
US-4729994-A Benzothiazepine vasodilators having aralkyl substitution MCNEILAB, INC. (US) 1988-03-08 US disclosed
EP-0256888-A1 Benzothiazepine vasodilators having aralkyl substitution McNeilab, Inc. (US) 1988-02-24 EP disclosed
EP-0124369-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-24 EP disclosed
EP-0163416-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 EP disclosed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 EP 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 (4 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885CHRM2 9/4885CHRM1 3/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 TAAR1 634/4885CHRM2 9/4885CHRM1 3/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE TAAR1 1727/4885CHRM2 34/4885CHRM1 66/4885
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 TAAR1 1323/4885CHRM2 594/4885CHRM1 309/4885

“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.