SCHEMBL5584813

SCHEMBL5584813

Cn1ccc2ccc(C3CC[N]CC3)cc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.44
CYP2A6 P11509 2/20 0.41
CHRNA7 P36544 1/20 0.37
PDE10A Q9Y233 1/20 0.35
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
PIK3CB P42338 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
PRKCI P41743 1/20 0.34
QDPR P09417 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MAPT P10636 1/20 0.32
BACE1 P56817 1/20 0.32
SMPD3 Q9NY59 1/20 0.32

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
SCHEMBL17683262 0.89 HTR1D (0.49) HTR1DCYP2A6CHRNA7PDE10ADRD2
SCHEMBL5584815 0.81 QDPR (0.46) HTR1DCYP2A6CHRNA7SLC6A4QDPR
SCHEMBL19868927 0.80 CYP2A6 (0.44) HTR1DCYP2A6CHRNA7DRD2SLC6A4
SCHEMBL19868758 0.78 CYP2A6 (0.42) HTR1DCYP2A6CHRNA7DRD2SLC6A4
SCHEMBL1365550 0.77 HDAC4 (0.46) HTR1DDRD2SLC6A4
SCHEMBL19868759 0.77 HTR1D (0.43) HTR1DCYP2A6CHRNA7DRD2SLC6A4
SCHEMBL19868840 0.77 CHRNA7 (0.41) HTR1DCYP2A6CHRNA7MAPK11MAPK14
SCHEMBL30701109 0.75 PRKCI (0.52) HTR1DCYP2A6CHRNA7DRD2SLC6A4
SCHEMBL3133961 0.75 PRKCI (0.52) HTR1DCYP2A6CHRNA7DRD2SLC6A4
SCHEMBL4457936 0.71 PRKCI (0.47) HTR1DCYP2A6CHRNA7DRD2SLC6A4

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 HTR1D 2/4885CYP2A6 956/4885CHRNA7 81/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR1D 2/4885CYP2A6 956/4885CHRNA7 81/4885

“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.