SCHEMBL5584353

SCHEMBL5584353

c1cc2cc(C3CC[N]CC3)ccc2s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
SLC6A4 P31645 8/20 0.40
SLC6A3 Q01959 8/20 0.40
SLC6A2 P23975 7/20 0.40
CYP2D6 P10635 1/20 0.40
DYRK1A Q13627 1/20 0.39
CYP2A6 P11509 2/20 0.39
CHRNA7 P36544 2/20 0.35
KCNH2 Q12809 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
CYP17A1 P05093 1/20 0.35
CA12 O43570 1/20 0.35
ENPP1 P22413 1/20 0.35
FGFR1 P11362 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 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
SCHEMBL19756732 0.88 SLC6A4 (0.44) KDM1ASLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL5584370 0.87 SLC6A4 (0.40) KDM1ASLC6A4SLC6A3SLC6A2CHRNA7
SCHEMBL31550065 0.80 SLC6A4 (0.43) KDM1ASLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL5584606 0.80 QDPR (0.49) KDM1ASLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL20010672 0.79 ESR2 (0.46) KDM1ASLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL27731404 0.77 SLC6A4 (0.43) KDM1ASLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL22720932 0.76 SLC6A4 (0.38) KDM1ASLC6A4SLC6A3SLC6A2CYP2D6
Hydrochloric Acid SCHEMBL22720985 0.75 SLC6A4 (0.37) KDM1ASLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL7460006 0.74 KDM1A (0.39) KDM1ASLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL19756730 0.73 SLC6A4 (0.44) KDM1ASLC6A4SLC6A3SLC6A2CYP2D6

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 226/4885SLC6A4 10/4885SLC6A3 23/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KDM1A 226/4885SLC6A4 10/4885SLC6A3 23/4885

“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.