SCHEMBL5584149

SCHEMBL5584149

c1cc2ccc(C3CC[N]CC3)cc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
FASN P49327 1/20 0.39
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNA7 P36544 2/20 0.34
HTR3A P46098 2/20 0.34
BACE1 P56817 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CHRNB4 P30926 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
SCHEMBL5584481 0.87 DYRK1A (0.40) SLC6A4SLC6A2SLC6A3CYP2D6CYP2A6
SCHEMBL15543152 0.80 QDPR (0.49) SLC6A4SLC6A2SLC6A3FASNACHE
SCHEMBL15543864 0.74 FASN (0.44) SLC6A4SLC6A2SLC6A3FASNCHRNA7
SCHEMBL15544043 0.73 FASN (0.53) SLC6A4SLC6A2SLC6A3FASNCHRNA7
SCHEMBL6260699 0.72 CYP2A6 (0.40) SLC6A4SLC6A2SLC6A3FASNKDM4E
SCHEMBL4671471 0.72 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3KDM4ECYP2D6
SCHEMBL1601431 0.71 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3CYP2D6CYP2A6
SCHEMBL28096548 0.71 FASN (0.47) SLC6A4SLC6A2SLC6A3FASNCHRNA7
SCHEMBL1602425 0.70 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3FASNCYP2A6
SCHEMBL1602109 0.69 BACE1 (0.45) SLC6A4SLC6A2SLC6A3CYP2A6BACE1

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 SLC6A4 10/4885SLC6A2 21/4885SLC6A3 23/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SLC6A4 10/4885SLC6A2 21/4885SLC6A3 23/4885

“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.