SCHEMBL5584762

SCHEMBL5584762

CC1Cc2cc(C3CC[N]CC3)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP11B2 P19099 2/20 0.37
GPR119 Q8TDV5 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC5A2 P31639 1/20 0.34
PBRM1 Q86U86 1/20 0.34
PTGS2 P35354 1/20 0.34
CHRM5 P08912 1/20 0.33
ALOX15B O15296 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL14571691 0.82 QDPR (0.50) TDP1RAB9ANPC1CASP3SENP8
SCHEMBL23412077 0.82 TDP1 (0.47) TDP1RAB9ANPC1CASP3SENP8
SCHEMBL25171678 0.75 TDP1 (0.53) TDP1RAB9ANPC1CASP3SENP8
SCHEMBL5585084 0.72 HDAC4 (0.44) RAB9ANPC1MAPTMAPK1ALDH1A1
SCHEMBL5585028 0.72 ALDH1A1 (0.50) NPC1MAPTMAPK1ALDH1A1GAA
SCHEMBL5584893 0.72 DYRK1A (0.42) RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5584487 0.72 CTSD (0.36) MAPTALDH1A1GAAKDM4E
SCHEMBL23411795 0.71 NAMPT (0.51) TDP1RAB9ANPC1MAPTGPR119
SCHEMBL29892168 0.71 NAMPT (0.51) TDP1RAB9ANPC1MAPTGPR119
SCHEMBL5584639 0.70 NOTUM (0.40) CHRM5

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 TDP1 1791/4885RAB9A 2487/4885NPC1 2906/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A TDP1 1791/4885RAB9A 2487/4885NPC1 2906/4885

“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.