SCHEMBL172836

SCHEMBL172836

Cc1ccc(OC2CCCC2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 3/20 0.43
PARP10 Q53GL7 1/20 0.41
PDK2 Q15119 2/20 0.40
ROCK1 Q13464 1/20 0.40
MAOA P21397 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL11587463 0.98 MEN1 (0.47) PTGS1PTGS2MEN1KMT2AMAOB
SCHEMBL17130522 0.96 PARP10 (0.44) PTGS1PTGS2MEN1KMT2AMAOB
SCHEMBL17130520 0.92 ACACB (0.40) PTGS1PTGS2MEN1KMT2AMAOB
SCHEMBL17978518 0.83 CASP1 (0.45) PTGS1PTGS2MAOBPARP10PDK2
SCHEMBL3113379 0.83 HAO1 (0.36) MEN1KMT2AMAOBMAOAALDH1A1
SCHEMBL30072838 0.83 PTGS1 (0.41) PTGS1PTGS2MAOBPARP10PDK2
SCHEMBL8293069 0.83 PTGS1 (0.41) PTGS1PTGS2MAOBPARP10PDK2
SCHEMBL3130589 0.83 HRH1 (0.55) ROCK1
SCHEMBL3721762 0.83 PTGS1 (0.44) PTGS1PTGS2MAOBPARP10PDK2
SCHEMBL6566407 0.83 PTGS1 (0.51) PTGS1PTGS2MAOBPARP10PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256461-B1 UREA AND SULFONAMIDE DERIVATIVES AS HUMAN HELICASE DDX3 INHIBITORS USEFUL IN THE TREATMENT OF VIRAL DISEASES AZIENDA OSPEDALIERA UNIV SENESE (IT) 2023-09-13 EP disclosed
US-10941121-B2 Human helicase DDX3 inhibitors as therapeutic agents AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2021-03-09 US disclosed
US-20200140398-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2020-05-07 US disclosed
US-20180016243-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS AZIENDA OSPEDALIERA UNIVERSITARIA SENESE (IT) 2018-01-18 US disclosed
US-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS MERCK SHARP & DOHME CORP. (US) 2015-10-01 US disclosed
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB PTGS1 2962/4885PTGS2 3643/4885MEN1 2509/4885
US-20180016243-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS DDX3X, DDX39B, DDX1 PTGS1 2745/4885PTGS2 3308/4885MEN1 3482/4885
US-20200140398-A1 HUMAN HELICASE DDX3 INHIBITORS AS THERAPEUTIC AGENTS DDX3X, DDX39B, DDX1 PTGS1 2745/4885PTGS2 3308/4885MEN1 3482/4885
US-10941121-B2 Human helicase DDX3 inhibitors as therapeutic agents DDX3X, DDX39B, DDX1 PTGS1 2745/4885PTGS2 3308/4885MEN1 3482/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB PTGS1 2962/4885PTGS2 3643/4885MEN1 2509/4885
US-20150274672-A1 SUBSTITUTED SPIROPIPERIDINYL COMPOUNDS USEFUL AS GPR120 AGONISTS GPR119, GPR180, GPR88 PTGS1 359/4885PTGS2 409/4885MEN1 4329/4885

“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.