SCHEMBL8989

SCHEMBL8989

CCCN(CCC)CC[O]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
CA1 P00915 2/20 0.36
CA14 Q9ULX7 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DRD3 P35462 4/20 0.32
DRD2 P14416 3/20 0.32
HTR1A P08908 1/20 0.32
DRD1 P21728 2/20 0.31
DRD4 P21917 2/20 0.31
DRD5 P21918 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL7927964 0.89 CA12 (0.39) CA12CA9CA1DRD3HTR1A
SCHEMBL5167642 0.88
SCHEMBL3431620 0.87 CA12 (0.36) CA12CA2CA9DRD3DRD2
SCHEMBL5358 0.82 HRH3 (0.41) CA12CA2CA9CA1CA14
SCHEMBL21224483 0.82 HRH3 (0.41) CA12CA2CA9CA1CA14
SCHEMBL2729745 0.82 HRH3 (0.41) CA12CA2CA9CA1CA14
SCHEMBL5243912 0.81 CA12 (0.35) CA12CA2CA9CA1CA14
SCHEMBL4393301 0.81 CA12 (0.42) CA12CA9CA1DRD3HTR1A
SCHEMBL2754194 0.79 DNM1 (0.43) CA12CA2CA9CA1TSHR
SCHEMBL7933713 0.79 CYP1A2 (0.44) CA12CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111514123-A Application of ketorolac analogue in resisting virus infection 江苏伯克生物医药股份有限公司 2020-08-11 CN claimed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US claimed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP claimed
EP-1678146-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP claimed
EP-1678164-A1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP claimed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
WO-2005040133-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-05-06 WO claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
WO-2005035527-A1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-21 WO claimed
US-4917989-A MULTILAYER; TRANSPARENT SUBSTRATE, DYE AND REFLECTOR BASF AKTIENGESELLSCHAFT (DE) 1990-04-17 US claimed
CN-111514123-A Application of ketorolac analogue in resisting virus infection 江苏伯克生物医药股份有限公司 2020-08-11 CN disclosed
US-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-02-19 US disclosed
EP-1859793-A1 NOVEL COMBINATIONAL USE OF SULFONAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-11-28 EP disclosed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
US-20070225209-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS AND DISEASES MYRIAD GENETICS, INCORPORATED (US) 2007-09-27 US disclosed
EP-0023594-B1 TRANS-QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-05-16 EP disclosed
US-4348396-A Substituted 11-oxo-11H-pyrido[2,1-b]quinazolines and method of inhibiting allergic reactions with them HOFFMANN-LA ROCHE INC. (US) 1982-09-07 US disclosed
US-4288453-A A-(1-PHENYL-2,2,2-TRIFLUOROETHOXY (OR -ETHYLTHIO))ALKANOIC ACIDS USEFUL AS ANTICHOLESTEROL AND ANTILIPEMIC AGENTS SCIENCE UNION ET CIE (FR) 1981-09-08 US disclosed
US-4281127-A USEFUL AS ANTIALLERGENS HOFFMANN-LA ROCHE INC. (US) 1981-07-28 US disclosed
EP-0023594-A1 Trans-Quinazoline derivatives, processes for their preparation, intermediates and medicaments containing these derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-02-11 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-20090047278-A1 Novel Combinational Use of Sulfonamide Compound EGFR, KIT, ERBB2 CA12 421/4885CA2 1095/4885CA9 431/4885
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 CA12 3831/4885CA2 3703/4885CA9 4345/4885
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation CNKSR1, IL1RN, CHUK CA12 4783/4885CA2 3923/4885CA9 4275/4885
US-20070225209-A1 COMPOSITIONS AND METHODS FOR TREATING NEUROLOGICAL DISORDERS AND DISEASES CLN6, PMP22, PSEN2 CA12 712/4885CA2 885/4885CA9 1655/4885

“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.