SCHEMBL5584663

SCHEMBL5584663

Brc1ccccc1C1CC[N]CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.42
BRD4 O60885 1/20 0.42
MAP1LC3B Q9GZQ8 1/20 0.39
HTR2C P28335 5/20 0.39
HTR2B P41595 4/20 0.39
SLC6A2 P23975 2/20 0.38
HTR2A P28223 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RCOR1 Q9UKL0 1/20 0.35
HDAC4 P56524 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL29427088 0.84 KDM1A (0.50) KDM1ABRD4MAP1LC3BHTR2CHTR2B
SCHEMBL10046437 0.84 KDM1A (0.50) KDM1ABRD4MAP1LC3BHTR2CHTR2B
SCHEMBL2530746 0.78 KDM1A (0.45) KDM1ABRD4MAP1LC3BHTR2CHTR2B
SCHEMBL30626968 0.78 KDM1A (0.45) KDM1ABRD4MAP1LC3BHTR2CHTR2B
SCHEMBL9820873 0.77 BRD4 (0.38) KDM1ABRD4MAP1LC3BHTR2CHTR2B
SCHEMBL5584664 0.75 HTR2C (0.60) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL3118740 0.75 KDM1A (0.44) KDM1AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL3962246 0.75 TP53 (0.48) HTR2CHTR2BSLC6A2HTR2ASLC6A4
SCHEMBL8317554 0.75 MEN1 (0.43) HTR2CHTR2BHTR2ACYP3A4ALDH1A1
SCHEMBL3208274 0.75 HTR2C (0.60) HTR2CHTR2BSLC6A2HTR2ASLC6A4

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 KDM1A 226/4885BRD4 1621/4885MAP1LC3B 2058/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KDM1A 226/4885BRD4 1621/4885MAP1LC3B 2058/4885

“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.