SCHEMBL300595

SCHEMBL300595

CCc1ccc(OC2CCNCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.66
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
KHK P50053 1/20 0.47
HRH3 Q9Y5N1 3/20 0.46
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
IKBKB O14920 1/20 0.44
ADRB2 P07550 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2B P41595 1/20 0.43
HTR3A P46098 1/20 0.43
HTR4 Q13639 1/20 0.43
ROCK1 Q13464 2/20 0.42
ROCK2 O75116 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
SCHEMBL13766409 0.90 HRH1 (0.54) HRH1DDB1CRBNSLC6A2SLC6A4
SCHEMBL12188700 0.87 DDB1 (0.50) HRH1DDB1CRBNHRH3ADRB2
SCHEMBL18715290 0.83 ALDH1A1 (0.50) HRH1DDB1CRBNHRH3ADRB2
SCHEMBL11941068 0.83 ALDH1A1 (0.54) HRH1DDB1CRBNHRH3ADRB2
SCHEMBL19023656 0.83 HRH1 (0.62) HRH1KHKHRH3SLC6A2SLC6A4
SCHEMBL15567254 0.82 HRH1 (0.59) HRH1KHKHRH3IKBKBROCK1
SCHEMBL19050238 0.82 HRH1 (0.66) HRH1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL6289091 0.82 HRH1 (0.66) HRH1KHKHRH3SLC6A2SLC6A4
SCHEMBL6289092 0.82 HRH1 (0.66) HRH1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL13766488 0.81 ALDH1A1 (0.53) HRH1DDB1CRBNHRH3ADRB2

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
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
WO-2010017122-A2 METHODS OF TREATING THALASSEMIA TARGEGEN INC. (US) 2010-02-11 WO disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 WO disclosed
EP-0158283-A2 Substituted 1-aminoalkylamino-4-aryloxypiperidines, a process for their preparation, intermediates thereof, and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-10-16 EP disclosed
US-4518713-A Analgesic substituted-1-aminoalkylamino-4-aryloxypiperidines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-05-21 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 (4 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK HRH1 127/4885DDB1 3790/4885CRBN 948/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 HRH1 1537/4885DDB1 1735/4885CRBN 1458/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 HRH1 1537/4885DDB1 1735/4885CRBN 1458/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 HRH1 1537/4885DDB1 1735/4885CRBN 1458/4885

“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.