SCHEMBL1995091

SCHEMBL1995091

CN1CCC(C)(Cn2nc(CC(N)=O)c3ccccc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPT P10636 2/20 0.35
SLC16A3 O15427 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ICMT O60725 1/20 0.34
CNR1 P21554 1/20 0.34
POLB P06746 3/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.33
PARP1 P09874 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR2 O95136 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 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
SCHEMBL1990746 0.85 RECQL (0.52) HTR2AHTR2CSMN1; SMN2
SCHEMBL1993250 0.78 ROCK2 (0.50) AKR1B1CNR1CNR2KMT2APARP1
SCHEMBL1994502 0.75 ROCK2 (0.44) AKR1B1MAPTSLC16A3KDM4ECNR1
SCHEMBL1989554 0.74 ADRA1A (0.47) HTR2AHTR2CMAPTPOLBLMNA
SCHEMBL1996125 0.73 PADI4 (0.47) HTR2AHTR2CCNR1CNR2PARP1
SCHEMBL2588997 0.73 KDM4E (0.46) MAPTKDM4EICMTPOLBLMNA
SCHEMBL13013360 0.73 HTR3A (0.45) AKR1B1MAPTSLC16A3KDM4EICMT
SCHEMBL1992641 0.72 RECQL (0.52) HTR2AHTR2CPOLBMAPK1SMN1; SMN2
SCHEMBL1995348 0.71 ADRA1A (0.46) KDM4EICMTCNR1POLBCNR2
SCHEMBL1991871 0.71 L3MBTL1 (0.48) HTR2AHTR2CLMNACNR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO AKR1B1 475/4885HTR2A 1080/4885HTR2C 648/4885

“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.