SCHEMBL1771685

SCHEMBL1771685

Cc1cccc(C)n1.Cc1cccc(C)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.71
CCR8 P51685 1/20 0.71
NOS3 P29474 1/20 0.63
NOS2 P35228 1/20 0.63
RAB9A P51151 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CCR5 P51681 1/20 0.47
GRM5 P41594 4/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
PKM P14618 2/20 0.46
HPGD P15428 2/20 0.46
CYP2C19 P33261 2/20 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
SCHEMBL9611 1.00
SCHEMBL30421349 1.00
SCHEMBL30898550 0.96
Iodide SCHEMBL8148528 0.96
Fluoride SCHEMBL38652089 0.96
SCHEMBL17822110 0.96
Bromide SCHEMBL5437785 0.96
Hydrogen Sulfide SCHEMBL20214420 0.96
SCHEMBL184761 0.96
Ammonia Solution, Strong SCHEMBL18983640 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184987-A1 Preparation of Retapamulin via its Pleuromutilin-thiol precursor TEVA PHARMACEUTICAL INDUSTRIES LTD. 2010-07-22 US claimed
US-20240218009-A1 NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS MERCK SHARP & DOHME LLC (US) 2024-07-04 US disclosed
US-20240199680-A1 SYNTHESIS OF FLUORINATED CYCLIC DINUCLEOTIDES MERCK SHARP & DOHME LLC (US) 2024-06-20 US disclosed
US-20240182511-A1 NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS MERCK SHARP & DOHME LLC (US) 2024-06-06 US disclosed
CN-114901646-B Benzotriazine bisoxides and pharmaceutical compositions thereof 浙江瑞臻医药有限公司 2024-06-04 CN disclosed
US-20230287032-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES MERCK SHARP & DOHME LLC (US) 2023-09-14 US disclosed
US-20230174567-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES MERCK SHARP & DOHME LLC (US) 2023-06-08 US disclosed
CN-110935489-A Supported transition metal catalyst system through hydrogen bond action and preparation method thereof 东华大学 2020-03-31 CN disclosed
EP-3129392-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY, SUBSTITUTED IN POSITION 3 BY A NON-AROMATIC RING CARRYING A HALOALKYL SUBSTITUENT VIIV Healthcare UK(No.4) Limited (GB) 2017-02-15 EP disclosed
WO-2015157483-A1 TRITERPENOIDS WITH HIV MATURATION INHIBITORY ACTIVITY, SUBSTITUTED IN POSITION 3 BY A NON-AROMATIC RING CARRYING A HALOALKYL SUBSTITUENT BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-15 WO disclosed
US-6232313-B1 TREATING STROKE OR EPILEPTIC CONVULSIONS ASSOCIATED WITH EXCESSIVE CALCIUM INFLUX IN THE BRAIN CAUSED BY EXCITATORY AMINO ACIDS ZENECA LIMITED (GB) 2001-05-15 US disclosed
US-6214826-B1 NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 2001-04-10 US disclosed
EP-0724583-B1 PYRIDAZINO QUINOLINE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-13 EP disclosed
EP-1004582-A2 Pyridazino quinoline compounds AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
US-5744471-A NERVOUS SYSTEM DISORDERS ZENECA LIMITED (GB) 1998-04-28 US disclosed
EP-0790996-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1997-08-27 EP disclosed
EP-0724583-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-08-07 EP disclosed
WO-1996015127-A1 PYRIDAZINOQUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 WO disclosed
US-5464600-A From phosphorous trichloride and sulfur BAYER CORPORATION (US) 1995-11-07 US disclosed
WO-1995011244-A1 PYRIDAZINO QUINOLINE COMPOUNDS ZENECA LIMITED (GB) 1995-04-27 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 (6 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-20240218009-A1 NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS STING1, IFNAR1, CGAS CCR1 3128/4885CCR8 2445/4885NOS3 1606/4885
US-20230287032-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES NUDT1, NT5C3B, DUT CCR1 4776/4885CCR8 4487/4885NOS3 1653/4885
US-20240199680-A1 SYNTHESIS OF FLUORINATED CYCLIC DINUCLEOTIDES NT5C3B, DUT, NT5C2 CCR1 3005/4885CCR8 1368/4885NOS3 3735/4885
US-20240182511-A1 NOVEL FORMS OF CYCLIC DINUCLEOTIDE COMPOUNDS STING1, IFNAR1, CGAS CCR1 2510/4885CCR8 1581/4885NOS3 1731/4885
US-20230174567-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES NUDT1, NT5C3B, MTAP CCR1 4190/4885CCR8 3833/4885NOS3 1617/4885
US-20100184987-A1 Preparation of Retapamulin via its Pleuromutilin-thiol precursor PLEC, TTR, NRP1 CCR1 3908/4885CCR8 3431/4885NOS3 3202/4885

“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.