SCHEMBL5584724

SCHEMBL5584724

COc1cccc(OC)c1C1=CC[N]CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
POLL Q9UGP5 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TOP1 P11387 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR2C P28335 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 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
SCHEMBL5584119 0.81 PTGS2 (0.44) CA1CA2CA7CA9CA12
SCHEMBL5584244 0.81 KDM4E (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL5585401 0.73 PDE4B (0.46) NPC1KDM4EALDH1A1HPGDMAPK1
SCHEMBL3540753 0.72 NISCH (0.47) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL5584331 0.71 NISCH (0.42) CA1CA2CA7CA9CA12
SCHEMBL5585024 0.71 KDM4E (0.42) CA9KDM4EALDH1A1HPGDLMNA
SCHEMBL240095 0.67 SIGMAR1 (0.42) NPC1RAB9AHTR2CKDM4EALDH1A1
SCHEMBL28148154 0.67 CA1 (0.65) CA1CA2CA7CA9CA12
SCHEMBL5584232 0.67 CYP1B1 (0.40) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL9870478 0.66 CA1 (0.50) CYP19A1CYP11B1CYP11B2POLLCA1

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 CYP19A1 1420/4885CYP11B1 559/4885CYP11B2 947/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A CYP19A1 1420/4885CYP11B1 559/4885CYP11B2 947/4885

“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.