SCHEMBL2865598

SCHEMBL2865598

CN(Cc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.50
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
KMT2A Q03164 1/20 0.47
SCN9A Q15858 1/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDE5A O76074 1/20 0.46
AOC3 Q16853 1/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
ADRA2A P08913 1/20 0.42
ACHE P22303 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL30966945 1.00 SIGMAR1 (0.50) SIGMAR1HTR1DHTR1BKMT2ASCN9A
SCHEMBL9821937 0.84 SIGMAR1 (0.63) SIGMAR1KMT2ASCN9ACYP2D6CYP1A2
SCHEMBL10747554 0.82 S1PR1 (0.43) SIGMAR1CYP2D6CYP1A2CYP2C19SLC6A2
SCHEMBL28462489 0.81 CYP2D6 (0.67) SIGMAR1KMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL6541752 0.81 L3MBTL1 (0.45) SIGMAR1HTR1DHTR1BKMT2ACYP2D6
SCHEMBL2343211 0.79 TSHR (0.59) SIGMAR1HTR1DHTR1BKMT2ACYP2C19
SCHEMBL29862183 0.79 SIGMAR1 (0.57) SIGMAR1KMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL3232376 0.79 SIGMAR1 (0.57) SIGMAR1KMT2ACYP2D6CYP1A2CYP2C19
SCHEMBL9463178 0.78 AOC3 (0.44) SIGMAR1HTR1DHTR1BKMT2ACYP2D6
Hydrochloric Acid SCHEMBL3792219 0.77 TSHR (0.58) SIGMAR1HTR1DHTR1BKMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110381955-A For preventing and treating the pharmaceutical composition containing adenosine derivative of glaucoma 未来制药有限公司 2019-10-25 CN disclosed
CN-109906083-A Pharmaceutical composition containing adenosine derivative for preventing and treating non-alcoholic steatohepatitis, hepatic fibrosis and liver cirrhosis 未来制药有限公司 2019-06-18 CN disclosed
CN-104969406-A Electrolyte solution for electrochemical device and electrochemical device WAKO PURE CHEM IND LTD 2015-10-07 CN disclosed
EP-2142549-B1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT FM THERAPEUTICS CO LTD (KR) 2013-07-10 EP disclosed
US-20100137577-A1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT FUTURE MEDICINE CO., LTD. (KR) 2010-06-03 US disclosed
EP-2142549-A1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT FM Therapeutics Co., Ltd. (KR) 2010-01-13 EP disclosed
WO-2008108508-A1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT FM THERAPEUTICS CO., LTD. (KR) 2008-09-12 WO disclosed
US-5492954-A STABILIZE LUBRICANTS AND SYNTHETIC POLYMERS AGAINST THE DELETERIOUS EFFECTS OF OXYGEN AND HEAT CIBA-GEIGY CORPORATION (US) 1996-02-20 US disclosed
US-5391808-A Lubricant and synthetic polymer additives for heat and oxidation resistance CIBA-GEIGY CORPORATION (US) 1995-02-21 US disclosed
EP-0585202-A1 N,N'-alkenylene amine/mercaptotolyl-imidazole blends as high temperature antioxidants for elastomers CIBA-GEIGY AG (CH) 1994-03-02 EP disclosed
US-5283367-A Antioxidants for lubricants and polymers CIBA-GEIGY CORPORATION (US) 1994-02-01 US disclosed
US-5240976-A For automobile, wire and cable uses CIBA-GEIGY CORPORATION (US) 1993-08-31 US disclosed
EP-0514333-A2 Substituted 1,4-diamino-2-butene stabilizers and stabilized compositions CIBA-GEIGY AG (CH) 1992-11-19 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 (1 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-20100137577-A1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT ADORA3, ADORA2A, ADORA1 SIGMAR1 1330/4885HTR1D 1054/4885HTR1B 719/4885

“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.