SCHEMBL5586162

SCHEMBL5586162

c1cc2c(cc1C1CC[N]CC1)CCN2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
QDPR P09417 1/20 0.33
S1PR1 P21453 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL28429360 0.88 DRD2 (0.53) DRD2DRD4EPHX2KDM4EMAPT
SCHEMBL30681284 0.88 DRD2 (0.53) DRD2DRD4EPHX2KDM4EMAPT
SCHEMBL5586163 0.83 QDPR (0.50) DRD2DRD4EPHX2QDPRHTR2C
SCHEMBL30681330 0.81 DRD2 (0.46) DRD2DRD4EPHX2
SCHEMBL28534549 0.75 EPHX2 (0.49) DRD2DRD4EPHX2KDM4EMAPT
SCHEMBL30681521 0.75 DRD2 (0.44) DRD2DRD4EPHX2KDM4EMAPT
SCHEMBL28574620 0.74 EPHX2 (0.51) DRD2DRD4EPHX2KDM4EMAPT
SCHEMBL10074966 0.73 DRD2 (0.52) DRD2DRD4KDM4EMAPTS1PR1
SCHEMBL5585111 0.73 ALDH1A1 (0.35) EPHX2KDM4EQDPRCA12CA1
SCHEMBL13190255 0.72 EPHX2 (0.46) DRD2DRD4EPHX2KDM4EMAPT

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 DRD2 62/4885DRD4 42/4885EPHX2 3307/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A DRD2 62/4885DRD4 42/4885EPHX2 3307/4885

“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.