SCHEMBL772819

SCHEMBL772819

COc1ccc(Cl)c(CN)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HTR2B P41595 1/20 0.49
HTR2A P28223 4/20 0.46
SLC6A4 P31645 4/20 0.46
KCNH2 Q12809 2/20 0.46
IDO1 P14902 2/20 0.46
PNMT P11086 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
CTSD P07339 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MAOB P27338 1/20 0.41
AOC3 Q16853 1/20 0.41
HTR1A P08908 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL30207828 0.85 TAAR1 (0.66) ADRA1ATAAR1HTR2ASLC6A4KCNH2
SCHEMBL8747066 0.85 TAAR1 (0.66) ADRA1ATAAR1HTR2ASLC6A4KCNH2
SCHEMBL2430164 0.84 HTR2B (0.49) ADRA1ATAAR1HTR2BHTR2ASLC6A4
Hydrochloric Acid SCHEMBL27696218 0.82 HTR2B (0.47) ADRA1ATAAR1HTR2BHTR2ASLC6A4
SCHEMBL12523559 0.82 TAAR1 (0.53) ADRA1ATAAR1HTR2ASLC6A4KCNH2
SCHEMBL3761927 0.82 L3MBTL1 (0.54) ADRA1ATAAR1HTR2ASLC6A4KCNH2
SCHEMBL9144848 0.82 ALDH1A1 (0.53) ADRA1ATAAR1HTR2ASLC6A4KCNH2
SCHEMBL24252449 0.80 SLC6A4 (0.46) ADRA1ATAAR1HTR2ASLC6A4KCNH2
SCHEMBL772818 0.80 SLC6A4 (0.46) ADRA1ATAAR1HTR2ASLC6A4KCNH2
SCHEMBL474102 0.80 HTR2A (0.46) ADRA1ATAAR1HTR2ASLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 US disclosed
CN-102822165-A Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORP 2012-12-12 CN disclosed
WO-2012123467-A1 PYRIMIDINE AMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 US disclosed
EP-1080069-B1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO (JP) 2003-03-19 EP disclosed
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-12-19 US disclosed
US-6384080-B1 TREATMENT AND/OR PREVENTION OF CERTAIN CARDIOVASCULAR DISORDERS, UROGENITAL DISORDERS, RESPIRATORY SYSTEM DISORDERS, DISORDERS OF GUT MOTILITY, SEXUAL DISORDERS, DIABETIC COMPLICATIONS, URTICARIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
CN-1305454-A Anthranilic acid derivatives as inhibitors of CGMP phosphodiesterase FUJISAWA PHARMACEUTICAL CO (JP) 2001-07-25 CN disclosed
EP-1080069-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-07 EP disclosed
WO-1999054284-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-28 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 (3 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-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP ADRA1A 3163/4885TAAR1 4462/4885HTR2B 2547/4885
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase PDE3A, PDE2A, PDE5A ADRA1A 183/4885TAAR1 1101/4885HTR2B 1337/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP ADRA1A 3423/4885TAAR1 4434/4885HTR2B 2696/4885

“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.