SCHEMBL5584370

SCHEMBL5584370

c1cc2ccc(C3CC[N]CC3)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP17A1 P05093 3/20 0.35
CHRNA7 P36544 5/20 0.34
HTR3A P46098 3/20 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
CHRNA3 P32297 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
KDM1A O60341 1/20 0.33
HTR1A P08908 1/20 0.32
QDPR P09417 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL19756730 0.88 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3CYP17A1CHRNA7
SCHEMBL5584353 0.87 KDM1A (0.41) SLC6A4SLC6A2SLC6A3CYP17A1CHRNA7
SCHEMBL8819846 0.81 SLC6A2 (0.37) SLC6A4SLC6A2SLC6A3CYP17A1CHRNA7
SCHEMBL19756637 0.80 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3CYP17A1CHRNA7
SCHEMBL20010880 0.79 ESR2 (0.46) SLC6A4SLC6A2SLC6A3CYP17A1CHRNA7
SCHEMBL22721036 0.76 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3CYP17A1CHRNA7
Hydrochloric Acid SCHEMBL22721105 0.75 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3CYP17A1CHRNA7
SCHEMBL20010881 0.74 IKBKE (0.38) SLC6A4SLC6A2SLC6A3CYP17A1CHRNA7
SCHEMBL19756732 0.73 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3CYP17A1CHRNA7
SCHEMBL4671471 0.72 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3BACE1KDM1A

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.