SCHEMBL6135480

SCHEMBL6135480

CN(C)Cc1ccc([O])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.64
▸ ALDH1A1 P00352 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ TAAR1 Q96RJ0 2/20 0.54
▸ NOS3 P29474 1/20 0.45
▸ NOS1 P29475 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ BRD4 O60885 1/20 0.41
▸ BRD9 Q9H8M2 1/20 0.41
▸ TTK P33981 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ INCENP Q9NQS7 1/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ LSS P48449 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ TNKS O95271 1/20 0.38
▸ GRM2 Q14416 1/20 0.37

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
SCHEMBL659509 0.86 HRH3 (0.82) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL12803574 0.79 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL12679031 0.78 HRH3 (1.00) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL12374 0.76 HRH3 (0.67) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL10050868 0.76 HRH3 (0.67) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL11312980 0.75 HRH3 (0.65) HRH3ALDH1A1TSHRTAAR1NOS3
Phosphine SCHEMBL25337730 0.74 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL5126585 0.74 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
SCHEMBL19206134 0.74 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3
Hydrochloric Acid SCHEMBL21821247 0.74 HRH3 (0.64) HRH3ALDH1A1TSHRTAAR1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3049072-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS William Marsh Rice University (US) 2016-08-03 — — EP claimed
WO-2015048268-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2015-04-02 — — WO claimed
US-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2016-11-03 — — US disclosed
EP-3049072-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS William Marsh Rice University (US) 2016-08-03 — — EP disclosed
WO-2015048268-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2015-04-02 — — WO disclosed
US-20050261164-A1 Remedy for urinary frequency and urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-24 — — US disclosed
EP-1532978-A1 REMEDY FOR URINARY FREQUENCY AND URINARY INCONTINENCE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 — — EP disclosed
US-6627714-B2 Copolymerizing ethylene and dicyclopentadiene or tricyclopentadiene, and cyclic olefin in presence of metallocene catalyst to produce copolymer MARUZEN PETROCHEMICAL CO., LTD. (JP) 2003-09-30 — — US disclosed
US-20020058767-A1 Method for producing an olefin type copolymer having a cyclic structure MARUZEN PETROCHEMICAL CO., LTD. (JP) 2002-05-16 — — US disclosed
EP-1205497-A2 Method for producing an olefin type copolymer having a cyclic structure MARUZEN PETROCHEMICAL CO., LTD. (JP) 2002-05-15 — — EP disclosed
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 — — US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 — — US disclosed
EP-0803501-B1 Substituted guanidine derivatives and their use as Na+/H+ exchange inhibitors SUMITOMO PHARMA (JP) 2000-07-05 — — EP disclosed
US-5977100-A Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-11-02 — — US disclosed
US-5834454-A TREATMENT OF ANGINA, ISCHEMIA, ARRHYTHMIA SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-11-10 — — US disclosed
US-5814654-A TREATMENT OF HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS, ORGAN DISORDERS ASSOCIATED WITH ISCHEMIA, CEREBRO-ISCHEMIC DISORDERS, CELL PROLIFERATION, ENDOTHELIAL CELL INJURY SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-09-29 — — US disclosed
EP-0803501-A1 Substituted guanidine derivatives and their use as Na+/H+ exchange inhibitors SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-29 — — EP disclosed
EP-0787728-A1 Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-08-06 — — EP disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 — — CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 — — 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 (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-20050261164-A1 Remedy for urinary frequency and urinary incontinence SLC14A1, SLC26A4, SLC6A12 HRH3 597/4885ALDH1A1 366/4885TSHR 4389/4885
US-20160318862-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS DGKZ, DGKG, DNAJA3 HRH3 4586/4885ALDH1A1 3849/4885TSHR 4560/4885

“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.

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