SCHEMBL4789469

SCHEMBL4789469

CC1CC(c2ccccc2Br)=CCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.34
KIF11 P52732 1/20 0.34
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
PBRM1 Q86U86 1/20 0.32
IDO1 P14902 1/20 0.32
GID4 Q8IVV7 1/20 0.31
CXCR3 P49682 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MPI P34949 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1078755 0.81 HTR7 (0.37) TSHRIDO1GAADCUN1D1ACHE
SCHEMBL4788776 0.79 IDH1 (0.36) TSHRKIF11IDO1CXCR3DCUN1D1
SCHEMBL4605690 0.79 ALDH1A1 (0.40) ALDH1A1TSHRIDO1GID4KDM4E
Hydrochloric Acid SCHEMBL7766719 0.79 HTR7 (0.36) ALDH1A1TSHRIDO1GAAHTR2C
SCHEMBL4790016 0.79 CYP2A6 (0.35) ALDH1A1TSHRIDO1CXCR3KDM4E
SCHEMBL5115977 0.76 HSD11B1 (0.38) TSHRHTR2AHTR2C
SCHEMBL120894 0.74 SIGMAR1 (0.47) HTR2AHTR2C
SCHEMBL4789473 0.73 TDP1 (0.44) ALDH1A1ADRA2APNMTADRA2BADRA2C
SCHEMBL578563 0.71 HTR2C (0.50) ALDH1A1MAPK1ADRA2APNMTADRA2B
SCHEMBL4789903 0.70 ADRA2A (0.41) ALDH1A1MAPK1ADRA2APNMTADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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 (1 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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 ALDH1A1 2588/4885MAPK1 638/4885TSHR 180/4885

“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.