SCHEMBL5584763

SCHEMBL5584763

C1=C(c2ccc3c(c2)OCO3)CC[N]C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.45
KDM4E B2RXH2 5/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
POLB P06746 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SRC P12931 1/20 0.40
WDR5 P61964 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K4 P45985 1/20 0.40
MAPKAPK2 P49137 1/20 0.40

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
SCHEMBL3538045 0.78 DYRK1A (0.50) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9618220 0.73 ACMSD (0.45) NISCHKDM4ELMNASMN1; SMN2NPC1
SCHEMBL6043424 0.72 QDPR (0.57) NISCHKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL5584141 0.71 AHR (0.45) KDM4ELMNANPC1RAB9AMAPT
SCHEMBL2253193 0.71 MAPK14 (0.38) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL615263 0.71 PTGS2 (0.45) KDM4ELMNASMN1; SMN2NPC1RAB9A
SCHEMBL5584837 0.70 NISCH (0.42) NISCHKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL240095 0.69 SIGMAR1 (0.42) NISCHKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL12526238 0.69 KDM4E (0.41) NISCHKDM4ELMNASMN1; SMN2NPC1
SCHEMBL22162812 0.68 CA12 (0.58) NISCHKDM4ELMNASMN1; SMN2NPC1

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 NISCH 3392/4885KDM4E 610/4885LMNA 3559/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A NISCH 3392/4885KDM4E 610/4885LMNA 3559/4885

“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.