SCHEMBL4761402

SCHEMBL4761402

O[C@H](CN1CCCCC1)[C@H](c1ccccc1)n1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SLC6A4 P31645 5/20 0.51
SLC6A2 P23975 3/20 0.51
ABCB1 P08183 2/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 3/20 0.43
HTR7 P34969 1/20 0.42
LTA4H P09960 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPY1R P25929 1/20 0.41

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
SCHEMBL4718066 1.00 RAB9A (0.52) RAB9ATSHRHSD17B10SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL4715475 0.99 RAB9A (0.51) RAB9ATSHRHSD17B10SLC6A4SLC6A2
SCHEMBL4719528 0.99 SLC6A4 (0.52) RAB9ATSHRHSD17B10SLC6A4SLC6A2
SCHEMBL4718404 0.99 SLC6A4 (0.52) RAB9ATSHRHSD17B10SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL5473634 0.98 SLC6A4 (0.51) RAB9ATSHRHSD17B10SLC6A4SLC6A2
SCHEMBL8241841 0.90 SLC6A2 (0.52) RAB9ASLC6A4SLC6A2GAAKMT2A
Hydrochloric Acid SCHEMBL4718262 0.90 SLC6A2 (0.51) RAB9ASLC6A4SLC6A2GAAKMT2A
Hydrochloric Acid SCHEMBL4718623 0.90 SLC6A2 (0.51) RAB9ASLC6A4SLC6A2GAAKMT2A
SCHEMBL4719022 0.84 SLC6A4 (0.57) RAB9ASLC6A4SLC6A2KMT2ANPC1
SCHEMBL4716627 0.83 SLC6A4 (0.62) RAB9ASLC6A4SLC6A2KMT2ANPC1

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
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
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
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 US 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 RAB9A 2205/4885TSHR 2990/4885HSD17B10 1292/4885

“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.