SCHEMBL2889963

SCHEMBL2889963

Cc1c(N2CCNCC2=O)nnn1-c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
ALOX5 P09917 2/20 0.35
OPRM1 P35372 1/20 0.34
CYBB P04839 2/20 0.33
NOX5 Q96PH1 2/20 0.33
NOX4 Q9NPH5 2/20 0.33
NOX1 Q9Y5S8 2/20 0.33
F10 P00742 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
KCNN4 O15554 1/20 0.33

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
SCHEMBL2893237 0.83 HTT (0.43) ADRB1SMN1; SMN2KDM4EALDH1A1SLC6A2
SCHEMBL1814949 0.78 ADRB1 (0.56) ADRB1SLC6A2SLC6A4SLC6A3ALOX5
Hydrochloric Acid SCHEMBL1663296 0.77 ADRB1 (0.54) ADRB1SLC6A2SLC6A4SLC6A3ALOX5
SCHEMBL2891520 0.76 P2RX7 (0.46)
SCHEMBL2889100 0.72 MEN1 (0.45) MAPTCYBBNOX5NOX4NOX1
SCHEMBL2894048 0.72 RBP4 (0.44)
SCHEMBL2889480 0.72 P2RX7 (0.42)
SCHEMBL13664702 0.70 SLC6A2 (0.58) ADRB1ALDH1A1MAPTSLC6A2SLC6A4
SCHEMBL31176347 0.70 ADRB1 (0.54) ADRB1MAPTALOX5HTR1A
SCHEMBL3653056 0.70 ADRB1 (0.54) ADRB1MAPTALOX5HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858800-B2 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-28 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 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 (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-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B ADRB1 56/4885SMN1; SMN2 281/4885KDM4E 4372/4885

“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.