SCHEMBL5584214

SCHEMBL5584214

Cc1nnc(-c2cc3c(O)cccc3[nH]2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
DAO P14920 2/20 0.37
DDO Q99489 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
PDK2 Q15119 2/20 0.35
PDK4 Q16654 1/20 0.35
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
GUSB P08236 3/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
IDO1 P14902 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
TOP1 P11387 1/20 0.33
KIF11 P52732 1/20 0.33
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL20508285 0.76 AURKA (0.49) GPR84KDM4EMEN1USP2ALDH1A1
SCHEMBL5584485 0.74 BRD4 (0.59) KDM4EUSP2ALDH1A1LMNAMAPT
SCHEMBL28414754 0.71 HPGD (0.58) DAODDOKDM4EMEN1USP2
SCHEMBL428470 0.71 F2RL3 (0.41) GPR84TRPM8KDM4EMEN1ALDH1A1
SCHEMBL933745 0.69 GAA (0.50) DAODDOHRH4IMPDH2IMPDH1
SCHEMBL29807129 0.69 GAA (0.50) DAODDOHRH4IMPDH2IMPDH1
SCHEMBL5584128 0.69 DYRK3 (0.43) GPR84TRPM8PDK2PIM1KDM4E
SCHEMBL7964360 0.68 HPGD (0.56) IMPDH2IMPDH1KDM4EMEN1ALDH1A1
SCHEMBL30865600 0.67 IDO1 (0.39) DAODDOHRH4IMPDH2IMPDH1
SCHEMBL8181410 0.67 TLR8 (0.56) GPR84TLR8TLR7PIM1PIM3

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 GPR84 474/4885DAO 2044/4885DDO 3543/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A GPR84 474/4885DAO 2044/4885DDO 3543/4885

“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.