SCHEMBL5584158

SCHEMBL5584158

O=C(C1=Cc2c(O)cccc2OC1)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 9/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GLA P06280 2/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
ALPL P05186 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PLA2G7 Q13093 1/20 0.37

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
SCHEMBL5584344 0.68 NPC1 (0.41) KDM4EGAAHPGDNPC1RAB9A
SCHEMBL29794228 0.67 ALOX5 (0.51) KDM4EMAPTHPGDNPC1RAB9A
SCHEMBL30203951 0.63 MAPT (0.65) KDM4EGAAMAPTPOLBHPGD
SCHEMBL1008405 0.63 MAPT (0.65) KDM4EGAAMAPTPOLBHPGD
SCHEMBL9725169 0.63 MAPT (0.69) KDM4EGAAMAPTPOLBHPGD
SCHEMBL31192001 0.63 NOTUM (0.44) KDM4EGAAMAPTHPGDNPC1
SCHEMBL3277352 0.63 ALDH1A1 (0.39) KDM4EGAAMAPTPOLBHPGD
SCHEMBL20839623 0.63 NR1H4 (0.41) KDM4EGAAMAPTHPGDNPC1
SCHEMBL2302971 0.62 MAPT (0.68) KDM4EGAAMAPTPOLBHPGD
SCHEMBL4057568 0.62 MAPT (0.68) KDM4EGAAMAPTPOLBHPGD

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 KDM4E 610/4885GAA 4054/4885MAPT 949/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A KDM4E 610/4885GAA 4054/4885MAPT 949/4885

“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.