SCHEMBL6284645

SCHEMBL6284645

Fc1ccc(CN2CCCC23CCNC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
POLB P06746 1/20 0.41
CNR2 P34972 1/20 0.40
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR3A P46098 1/20 0.36
NAMPT P43490 1/20 0.36
CYP2D6 P10635 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
KCNH2 Q12809 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CXCR4 P61073 1/20 0.35

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
SCHEMBL1556809 0.85 CYP2D6 (0.50) ALDH1A1SIGMAR1NAMPTCYP2D6TSHR
SCHEMBL4875396 0.79 CYP2D6 (0.55) ALDH1A1SIGMAR1CYP2D6SMN1; SMN2TSHR
SCHEMBL21538553 0.76 MEN1 (0.50) ALDH1A1POLBSIGMAR1CYP2D6TSHR
SCHEMBL6012315 0.75 MEN1 (0.37) ALDH1A1SIGMAR1CYP2D6SMN1; SMN2TSHR
SCHEMBL24324296 0.75 MAPT (0.40) ALDH1A1SIGMAR1CYP2D6SMN1; SMN2SLC6A2
SCHEMBL6012435 0.75 SIGMAR1 (0.53) ALDH1A1SIGMAR1HTR3ACYP2D6TSHR
SCHEMBL323276 0.75 CYP2D6 (0.52) ALDH1A1SIGMAR1CYP2D6SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL322816 0.74 CYP2D6 (0.51) ALDH1A1POLBSIGMAR1CYP2D6SMN1; SMN2
SCHEMBL6012414 0.72 SIGMAR1 (0.44) ALDH1A1SIGMAR1HTR3ASMN1; SMN2SLC6A2
SCHEMBL518379 0.72 ALDH1A1 (0.44) ALDH1A1POLBHTR3ATSHRKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171183-A1 Indole-type inhibitors of p38 kinase SCIOS, INC. (US) 2005-08-04 US disclosed
US-6890938-B2 Indole-type inhibitors of p38 kinase SCIOS, INC. (US) 2005-05-10 US disclosed
EP-1339708-A2 INDOLE-TYPE INHIBITORS OF P38 KINASE Scios Inc. (US) 2003-09-03 EP disclosed
US-20030100588-A1 Indole-type inhibitors of p38 kinase SCIOS, INC. 2003-05-29 US disclosed
WO-2002044168-A2 INDOLE-TYPE INHIBITORS OF P38 KINASE SCIOS INC. (US) 2002-06-06 WO 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 (2 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-20030100588-A1 Indole-type inhibitors of p38 kinase CNKSR1, MAPK1, MAP2K6 ALDH1A1 3213/4885POLB 4206/4885CNR2 364/4885
US-20050171183-A1 Indole-type inhibitors of p38 kinase MAPK1, MAPKAPK2, MAP3K1 ALDH1A1 1628/4885POLB 2524/4885CNR2 1821/4885

“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.