SCHEMBL5584464

SCHEMBL5584464

COc1ccc2cc(C3CC[N]CC3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
SLC6A3 Q01959 2/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
HTR2C P28335 2/20 0.44
FDFT1 P37268 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
NCF1 P14598 1/20 0.40
ABL1 P00519 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
RAB9A P51151 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DRD2 P14416 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL1628502 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL240094 0.84 DRD2 (0.51) DRD2MEN1MAPK1KMT2A
SCHEMBL3172248 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL1366191 0.81 HTR2C (0.66) HTR2CDRD2
SCHEMBL11140216 0.81 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL11140195 0.81 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL5584716 0.80 HTR2C (0.69) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL4671471 0.79 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3HTR2CDRD2
SCHEMBL3161832 0.79 PDE4A (0.52) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6
SCHEMBL11141713 0.78 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3CYP1A2CYP2A6

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