SCHEMBL301839

SCHEMBL301839

CCc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.71
SMN1; SMN2 Q16637 5/20 0.66
POLB P06746 1/20 0.61
NOS3 P29474 1/20 0.57
NOS1 P29475 1/20 0.57
NOS2 P35228 1/20 0.57
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
KCNJ1 P48048 1/20 0.56
HIF1A Q16665 2/20 0.51
EPAS1 Q99814 2/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 2/20 0.51
RAB9A P51151 2/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL16644328 0.98 HRH3 (0.69) HRH3SMN1; SMN2POLBNOS3NOS1
SCHEMBL16644362 0.98 HRH3 (0.69) HRH3SMN1; SMN2POLBNOS3NOS1
SCHEMBL15467001 0.89 HRH3 (0.87) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL13061370 0.85 HRH3 (0.67) HRH3SMN1; SMN2NOS3NOS1NOS2
SCHEMBL11864 0.84 HRH3 (0.71) HRH3SMN1; SMN2POLBNOS3NOS1
SCHEMBL19251384 0.84 HRH3 (0.53) HRH3SMN1; SMN2POLBNOS3NOS1
SCHEMBL14787825 0.82 HRH3 (0.69) HRH3SMN1; SMN2POLBNOS3NOS1
SCHEMBL14791028 0.82 HRH3 (0.69) HRH3SMN1; SMN2POLBNOS3NOS1
SCHEMBL25137036 0.82 HRH3 (0.62) HRH3SMN1; SMN2POLBNOS3NOS1
SCHEMBL10235392 0.82 NCF1 (0.71) HRH3SMN1; SMN2NOS1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-11-16 US disclosed
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-20210238226-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2021-08-05 US disclosed
US-10954242-B2 Bicyclic urea kinase inhibitors and uses thereof THE BROAD INSTITUTE, INC. (US) 2021-03-23 US disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 WO disclosed
EP-3772513-A1 SHP2 INHIBITORS C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2021-02-10 EP disclosed
US-20200317675-A9 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2020-10-08 US disclosed
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2020-02-25 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7241769-B2 Pyrimidines as PLK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-10 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 WO disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 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 (13 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-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A HRH3 3715/4885SMN1; SMN2 3416/4885POLB 635/4885
US-20210238226-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE ATXN2L, ATXN2, ATXN10 HRH3 1151/4885SMN1; SMN2 111/4885POLB 352/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 HRH3 1487/4885SMN1; SMN2 4746/4885POLB 1540/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HRH3 1972/4885SMN1; SMN2 3557/4885POLB 450/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 HRH3 2011/4885SMN1; SMN2 2187/4885POLB 4123/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 HRH3 2011/4885SMN1; SMN2 2187/4885POLB 4123/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 HRH3 1487/4885SMN1; SMN2 4746/4885POLB 1540/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR HRH3 4538/4885SMN1; SMN2 3570/4885POLB 3401/4885
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF EPHA4, EPHA1, EPHA5 HRH3 1502/4885SMN1; SMN2 21/4885POLB 4540/4885
US-20200317675-A9 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF SIK1, SIK2, SIK3 HRH3 3033/4885SMN1; SMN2 1119/4885POLB 709/4885
US-10568889-B2 Prostaglandin receptor EP2 antagonists, derivatives, compositions, and uses related thereto PTGER2, PTGES2, PTGER1 HRH3 948/4885SMN1; SMN2 3187/4885POLB 2944/4885
US-20230365568-A1 PLK1 POLO BOX DOMAIN INHIBITORS AND METHOD OF TREATING CANCER PLK1, PLK4, BUB1B HRH3 3186/4885SMN1; SMN2 2933/4885POLB 18/4885
US-10954242-B2 Bicyclic urea kinase inhibitors and uses thereof SIK1, SIK2, SIK3 HRH3 3033/4885SMN1; SMN2 1119/4885POLB 709/4885

“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.