SCHEMBL5584371

SCHEMBL5584371

c1cc2cc(C3CCNCC3)ccc2cn1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.55
PRKCZ Q05513 1/20 0.54
ROCK1 Q13464 3/20 0.48
CHUK O15111 2/20 0.48
QDPR P09417 1/20 0.47
LCK P06239 1/20 0.44
TLR9 Q9NR96 5/20 0.44
TLR8 Q9NR97 5/20 0.44
TLR7 Q9NYK1 5/20 0.44
AKT1 P31749 3/20 0.44
CDK2 P24941 1/20 0.44
HTR2C P28335 3/20 0.43
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
JAK3 P52333 1/20 0.42
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL23443503 0.94 IKBKB (0.58) IKBKBPRKCZROCK1CHUKQDPR
SCHEMBL2300247 0.88 PRKCZ (0.45) IKBKBPRKCZROCK1CDK2
SCHEMBL22288360 0.85 BACE1 (0.49) IKBKBPRKCZROCK1CDK2
SCHEMBL22288202 0.83 CYP11B2 (0.51) IKBKBPRKCZROCK1AKT1CDK2
SCHEMBL5584369 0.82 PRKCZ (0.41) IKBKBPRKCZROCK1CDK2
SCHEMBL30824477 0.81 KDM4C (0.41) IKBKBPRKCZROCK1CDK2
SCHEMBL22048053 0.79 ESR2 (0.45) IKBKBPRKCZROCK1CDK2
SCHEMBL14571699 0.78 QDPR (0.50) ROCK1QDPRTLR9TLR8TLR7
SCHEMBL23059274 0.78 CDK8 (0.42) IKBKBPRKCZROCK1
SCHEMBL28452949 0.78 BACE1 (0.49) IKBKBPRKCZROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 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 (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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A IKBKB 1984/4885PRKCZ 4132/4885ROCK1 1485/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A IKBKB 1984/4885PRKCZ 4132/4885ROCK1 1485/4885

“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.