SCHEMBL5584902

SCHEMBL5584902

c1cc2c(cc1C1CCNCC1)CCS2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.47
HTR2C P28335 8/20 0.42
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR6 P50406 3/20 0.40
DRD3 P35462 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
MAPKAPK2 P49137 2/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KCNH2 Q12809 1/20 0.35
RYR2 Q92736 1/20 0.35

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
SCHEMBL5584560 0.87 QDPR (0.47) QDPRHTR2CSLC18A3SIGMAR1HTR6
SCHEMBL5584309 0.81 SLC5A2 (0.32)
SCHEMBL5585026 0.73 QDPR (0.53) QDPRHTR2CSLC18A3SIGMAR1HTR6
SCHEMBL5584964 0.73 QDPR (0.53) QDPRHTR2CSLC18A3SIGMAR1HTR6
SCHEMBL22340617 0.72 KCNH2 (0.31) QDPRTLR9TLR8TLR7KCNH2
SCHEMBL5584669 0.72 SLC5A2 (0.34)
SCHEMBL22340575 0.71 HSD11B1 (0.33)
SCHEMBL5586163 0.70 QDPR (0.50) QDPRHTR2CSLC18A3SIGMAR1HTR6
SCHEMBL22324807 0.69 QDPR (0.49) QDPRHTR2CSLC18A3SIGMAR1HTR6
SCHEMBL10108840 0.68 SLC6A4 (0.46) HTR2C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO disclosed
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 QDPR 214/4885HTR2C 9/4885SLC18A3 162/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A QDPR 214/4885HTR2C 9/4885SLC18A3 162/4885

“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.