SCHEMBL171264

SCHEMBL171264

Cc1ccc(OCCCN2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.79
MAPK1 P28482 2/20 0.79
ALDH1A1 P00352 2/20 0.79
CYP1A2 P05177 2/20 0.79
CHRM2 P08172 1/20 0.79
CHRM1 P11229 1/20 0.79
HTR2A P28223 1/20 0.79
SCN1A P35498 1/20 0.79
HTR2B P41595 1/20 0.79
KCNH2 Q12809 1/20 0.79
SCN2A Q99250 1/20 0.79
SIGMAR1 Q99720 1/20 0.79
SCN3A Q9NY46 1/20 0.79
USP2 O75604 1/20 0.77
LMNA P02545 1/20 0.77
HRH2 P25021 1/20 0.63
HRH1 P35367 1/20 0.63
TSHR P16473 1/20 0.60
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59

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
SCHEMBL12835047 0.95 ALDH1A1 (0.72) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL10200149 0.94 ALDH1A1 (0.70) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL82383 0.92 ALDH1A1 (0.67) HRH3MAPK1ALDH1A1CYP1A2CHRM2
Pramoxine SCHEMBL26020 0.89 ALDH1A1 (1.00) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL23804878 0.87 HRH3 (0.91) HRH3MAPK1ALDH1A1CYP1A2CHRM2
Pramoxine SCHEMBL180542 0.87 LMNA (1.00) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL23804879 0.87 HRH3 (0.79) HRH3MAPK1ALDH1A1CYP1A2CHRM2
Pramoxine SCHEMBL4435138 0.86 ALDH1A1 (0.94) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL15834050 0.85 HRH3 (0.67) HRH3KCNH2HRH1
SCHEMBL2629440 0.85 HRH3 (0.72) HRH3KCNH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed
US-9745291-B2 PRMT5 inhibitors containing a dihydro- or tetrahydroisoquinoline and uses thereof Epizyme, Inc. (US) 2017-08-29 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
EP-1732543-B1 TETRACYCLIC CARBOLINE DERATIVES FOR INHIBITING ANGIOGENESIS PTC THERAPEUTICS INC (US) 2017-05-10 EP disclosed
US-9604930-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2017-03-28 US disclosed
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2016-11-17 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-9266834-B2 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors Janssen Pharmaceuticals, Inc. (US) 2016-02-23 US disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 US disclosed
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS Janssen Pharmaceuticals, Inc. 2007-09-13 US disclosed
WO-2007067994-A1 INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-06-14 WO disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 HRH3 403/4885MAPK1 203/4885ALDH1A1 208/4885
US-20160333011-A1 TRIAZOLOPYRIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 HRH3 297/4885MAPK1 79/4885ALDH1A1 2328/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 HRH3 1501/4885MAPK1 343/4885ALDH1A1 1649/4885
US-20070213323-A1 NOVEL PYRIDINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 HRH3 193/4885MAPK1 1538/4885ALDH1A1 3403/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A HRH3 4024/4885MAPK1 335/4885ALDH1A1 4428/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 HRH3 1208/4885MAPK1 936/4885ALDH1A1 3825/4885

“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.