SCHEMBL3798519

SCHEMBL3798519

Nc1ccccc1OCC1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
RIPK1 Q13546 1/20 0.53
HTR2C P28335 5/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MCHR1 Q99705 3/20 0.46
APP P05067 1/20 0.44
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
DHFR P00374 1/20 0.41
DCPS Q96C86 1/20 0.41
PDE5A O76074 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 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
SCHEMBL23493020 1.00 ALDH1A1 (0.53) ALDH1A1RIPK1HTR2CCYP1A2CYP2C9
SCHEMBL1340888 0.92 MCHR1 (0.55) ALDH1A1RIPK1HTR2CCYP1A2CYP2C9
SCHEMBL8785073 0.92 MCHR1 (0.55) ALDH1A1RIPK1HTR2CCYP1A2CYP2C9
SCHEMBL9370895 0.91 MCHR1 (0.56) ALDH1A1RIPK1HTR2CCYP1A2CYP2C9
SCHEMBL21694298 0.88 RIPK1 (0.48) ALDH1A1RIPK1HTR2CCYP1A2CYP2C9
SCHEMBL23493029 0.88 RIPK1 (0.48) ALDH1A1RIPK1HTR2CCYP1A2CYP2C9
SCHEMBL27812817 0.88 SLC6A2 (0.53) ALDH1A1RIPK1HTR2CTDP1SLC6A2
SCHEMBL21694263 0.86 RIPK1 (0.46) ALDH1A1RIPK1HTR2CCYP1A2CYP2C9
SCHEMBL10503371 0.85 MCHR1 (0.48) ALDH1A1RIPK1HTR2CMCHR1DHFR
SCHEMBL21694177 0.84 MAOB (0.45) ALDH1A1RIPK1HTR2CMCHR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116924976-A Diaryl heterocyclic amine compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-10-24 CN disclosed
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2022-06-09 US disclosed
US-9265768-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-02-23 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 US disclosed
US-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES Bayer Pharma AG (DE) 2015-05-14 US disclosed
EP-2760838-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2014-08-06 EP disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2010-06-10 US disclosed
EP-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2007059905-A9 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AG (DE) 2007-11-01 WO disclosed
WO-2007059905-A2 THIENOPYRIMIDINES TREATING INFLAMMATORY DISEASES DEVELOGEN AKTIENGESELLSCHAFT (DE) 2007-05-31 WO disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO disclosed
EP-0094790-A2 Herbicidal O-alkoxybenzenesulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-11-23 EP disclosed
EP-0000324-B1 SUBSTITUTED CYCLOPROPYLMETHOXY ANILIDES, THEIR PREPARATION AND THEIR USE AS HERBICIDES STAUFFER CHEMICAL COMPANY (US) 1980-10-01 EP disclosed
EP-0000324-A1 Substituted cyclopropylmethoxy anilides, their preparation and their use as herbicides STAUFFER CHEMICAL COMPANY (US) 1979-01-24 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 (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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR ALDH1A1 3587/4885RIPK1 2195/4885HTR2C 377/4885
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A ALDH1A1 59/4885RIPK1 4763/4885HTR2C 1471/4885
US-20220177462-A1 SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF RIPK1, RIPK4, RIPK3 ALDH1A1 4437/4885RIPK1 1/4885HTR2C 4156/4885
US-20100143341-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, PDXK ALDH1A1 3283/4885RIPK1 1320/4885HTR2C 3128/4885
US-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES DPYD, VEGFA, FLT1 ALDH1A1 839/4885RIPK1 3916/4885HTR2C 4119/4885
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A ALDH1A1 59/4885RIPK1 4763/4885HTR2C 1471/4885

“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.