SCHEMBL5584543

SCHEMBL5584543

c1cc2ccc(C3CC[N]CC3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.43
CMA1 P23946 1/20 0.43
TYR P14679 1/20 0.43
ENPP2 Q13822 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2A6 P11509 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.38
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL15566771 0.87 AHR (0.50) AHRCMA1TYRENPP2MEN1
SCHEMBL4839995 0.81 AHR (0.39) AHRCMA1TYRENPP2MEN1
SCHEMBL5584545 0.81 QDPR (0.51) AHRCMA1TYRENPP2MEN1
SCHEMBL17913415 0.75 AHR (0.46) AHRCMA1TYRENPP2MEN1
SCHEMBL18000304 0.74 AHR (0.48) AHRCYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL4671471 0.73 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3KDM4EKDM1A
SCHEMBL8995188 0.71 AHR (0.46) AHRCYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL14508468 0.71 L3MBTL1 (0.46) AHRCMA1TYRENPP2MEN1
SCHEMBL3307955 0.70 NPC1 (0.47) AHRCYP2A6SLC6A2SLC6A4SLC6A3
SCHEMBL20924172 0.70 KDM1A (0.49) AHRCMA1TYRBRD4KDM1A

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 AHR 1642/4885CMA1 1062/4885TYR 913/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A AHR 1642/4885CMA1 1062/4885TYR 913/4885

“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.