SCHEMBL5584364

SCHEMBL5584364

CC(C)Cn1c(C(=O)O)cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.49
DRD2 P14416 2/20 0.49
HTR1A P08908 4/20 0.48
SLC6A4 P31645 3/20 0.48
KCNH2 Q12809 2/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5584367 1.00 DRD4 (0.49) DRD4DRD2HTR1ASLC6A4KCNH2
SCHEMBL6210413 0.91 HTR1A (0.47) DRD4DRD2HTR1ASLC6A4KCNH2
SCHEMBL14571523 0.91 HTR1A (0.47) DRD4DRD2HTR1ASLC6A4KCNH2
SCHEMBL6210409 0.91 HTR1A (0.47) DRD4DRD2HTR1ASLC6A4KCNH2
SCHEMBL14571524 0.91 ALDH1A1 (0.48) DRD4DRD2HTR1ASLC6A4KCNH2
SCHEMBL5584788 0.90 HTR1A (0.50) DRD4DRD2HTR1ASLC6A4KCNH2
SCHEMBL5584791 0.90 HTR1A (0.50) DRD4DRD2HTR1ASLC6A4KCNH2
SCHEMBL5584768 0.90 DRD4 (0.50) DRD4DRD2HTR1ASLC6A4KCNH2
SCHEMBL5584772 0.90 DRD4 (0.50) DRD4DRD2HTR1ASLC6A4KCNH2
Hydrochloric Acid SCHEMBL5584274 0.90 ALDH1A1 (0.49) DRD4DRD2HTR1ASLC6A4KCNH2

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 8 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
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
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 DRD4 42/4885DRD2 62/4885HTR1A 1/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A DRD4 42/4885DRD2 62/4885HTR1A 1/4885

“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.