SCHEMBL4717514

SCHEMBL4717514

Cc1ccc(C(=O)Nc2ccc3c(c2)CCN3[C@@H](c2ccccc2)[C@H](O)CO)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
THRB P10828 1/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
CHRM1 P11229 2/20 0.43
CASP3 P42574 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
POLB P06746 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
ROCK2 O75116 1/20 0.43

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
SCHEMBL4717815 0.88 RAB9A (0.52) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL4715408 0.88 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4719339 0.86 MAPT (0.58) MAPTNPC1RAB9ATP53MEN1
SCHEMBL5483667 0.80 SLC6A2 (0.60) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5483663 0.80 SLC6A2 (0.60) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5483002 0.80 SLC6A2 (0.60) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4717685 0.80 SLC6A2 (0.65) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL5480498 0.80 SLC6A2 (0.65) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL5480503 0.80 SLC6A2 (0.65) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL4716981 0.80 SLC6A2 (0.48) MAPTNPC1RAB9ATP53MEN1

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 MAPT 1848/4885THRB 2271/4885NPC1 2982/4885

“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.