SCHEMBL4718545

SCHEMBL4718545

c1ccc(Oc2cccc3c2NCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.44
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
HTR1A P08908 4/20 0.41
SLC6A3 Q01959 4/20 0.41
BRD4 O60885 1/20 0.39
HRH1 P35367 1/20 0.39
RIPK1 Q13546 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2B P41595 1/20 0.37
PDPK1 O15530 1/20 0.37
PARP1 P09874 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37
TSHR P16473 1/20 0.37
KDM1A O60341 2/20 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
SCHEMBL21225396 0.82 SRC (0.39) SRCSLC6A2SLC6A4PARP1PARP10
SCHEMBL11154520 0.80 HTT (0.43) SRCSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL11156889 0.80 MAPT (0.45) SRCSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL11870781 0.78 RHEB (0.41) SLC6A2SLC6A4HTR1ASLC6A3BRD4
SCHEMBL4795981 0.77 SRC (0.47) SRCHTR1APARP1
SCHEMBL12167758 0.76 SRC (0.52) SRCSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL4716745 0.76 MAPT (0.49) SRCSLC6A2SLC6A4HTR1ASLC6A3
SCHEMBL31448498 0.76 NPC1 (0.46) SLC6A2SLC6A4HTR1ASLC6A3LMNA
SCHEMBL10771050 0.75 SRC (0.50) SRCHTR2CPDPK1PARP1PARP10
SCHEMBL10841085 0.73 SLC6A2 (0.36) SLC6A2SLC6A4HTR1ASLC6A3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 US 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 (1 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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS SRC 3412/4885SLC6A2 8/4885SLC6A4 16/4885

“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.