Sugi Predict

Sugi Predict / Compounds / SCHEMBL4855189

SCHEMBL4855189

SCHEMBL4855189

COc1ccccc1CCNC(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.57
▸ MTNR1B P49286 1/20 0.57
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA5A P35218 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ CA14 Q9ULX7 1/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.55
▸ MPO P05164 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.51
▸ ADRB2 P07550 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL27593265 0.90 ADRB2 (0.57) MTNR1AMTNR1BTAAR1MPOADRB2
SCHEMBL14438302 0.83 ADRB2 (0.54) ALDH1A1ADRB2ATML3MBTL1
SCHEMBL9965797 0.81 ATM (0.67) ALDH1A1ATML3MBTL1
SCHEMBL21243265 0.81 MPO (0.70) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL22957860 0.80 SLC6A3 (0.47) ADRB2
Hydrochloric Acid SCHEMBL841799 0.80 ATM (0.65) ALDH1A1ATML3MBTL1
SCHEMBL681494 0.79 MTNR1A (0.62) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL19091137 0.79 CHRM2 (0.67) —
SCHEMBL170826 0.78 MPO (0.57) MTNR1AMTNR1BCA12CA1CA2
SCHEMBL28858018 0.78 TAAR1 (0.75) MTNR1AMTNR1BCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019170086-A1 ACYL-SUBSTITUTED OXAZINO-QUINAZOLINE COMPOUND, PREPARATION METHOD THEREFOR, AND USES THEREOF 北京赛特明强医药科技有限公司 2019-09-12 — — WO disclosed
US-8263659-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-11 — — US disclosed
US-8114856-B2 Antibacterial 4,5-substituted aminoglycoside analogs having multiple substituents ISIS PHARMACEUTICALS, INC. (US) 2012-02-14 — — US disclosed
US-20110166334-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS,INC. (US) 2011-07-07 — — US disclosed
US-20100298276-A1 THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2010-11-25 — — US disclosed
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 — — US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 — — US disclosed
US-20080293649-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2008-11-27 — — US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 — — 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-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 — — EP disclosed
EP-0672032-B1 NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES ASTRA AB (SE) 1998-01-07 — — EP disclosed
US-5693630-A FOR TREATMENT OF PSYCHIATRIC DISORDERS ASTRA AKTIEBOLAG (SE) 1997-12-02 — — US disclosed
EP-0672032-A1 NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES Astra Aktiebolag (SE) 1995-09-20 — — EP disclosed
WO-1995009835-A1 NOVEL PHENYLETHYL AND PHENYLPROPYLAMINES ASTRA AKTIEBOLAG (SE) 1995-04-13 — — 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 (7 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-20110166334-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC MTNR1A 3214/4885MTNR1B 3319/4885CA12 4852/4885
US-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MTNR1A 67/4885MTNR1B 97/4885CA12 2040/4885
US-20080293649-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC MTNR1A 3214/4885MTNR1B 3319/4885CA12 4852/4885
US-20100298276-A1 THYROID RECEPTOR LIGANDS TSHR, THRA, THRB MTNR1A 120/4885MTNR1B 249/4885CA12 2337/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 MTNR1A 697/4885MTNR1B 465/4885CA12 1680/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 MTNR1A 67/4885MTNR1B 97/4885CA12 2040/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MTNR1A 100/4885MTNR1B 129/4885CA12 1238/4885

“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.