SCHEMBL4084782

SCHEMBL4084782

O=c1[nH]c2ccccc2n1C1CCC1

nearest known ligand 0.90

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.76
CHRM2 P08172 2/20 0.76
CHRM4 P08173 2/20 0.76
CHRM3 P20309 1/20 0.76
OPRM1 P35372 10/20 0.64
OPRK1 P41145 7/20 0.64
OPRL1 P41146 7/20 0.64
SLC18A3 Q16572 1/20 0.64
OPRD1 P41143 2/20 0.62
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59

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
SCHEMBL3142425 0.97 CHRM1 (0.81) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL3146496 0.95 CHRM2 (0.83) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL319049 0.93 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL3895786 0.91 CHRM1 (0.92) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL22724773 0.87 CHRM1 (0.64) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL44492 0.87 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL29467164 0.87 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL8863641 0.87 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL4572894 0.87 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL4919819 0.87 CHRM1 (1.00) CHRM1CHRM2CHRM4CHRM3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 CN disclosed
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
EP-1732887-B1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH CORP (US) 2008-01-09 EP disclosed
EP-1732887-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth (US) 2006-12-20 EP disclosed
WO-2005097744-A1 1-(1H-INDOL-1-YL)-3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYL PROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE NOREPINEPHRINE (NE) AND THE SEROTONINE (5-HT) ACTIVITY AND THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2005-10-20 WO disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 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 (3 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-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT CHRM1 1415/4885CHRM2 1060/4885CHRM4 1872/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT CHRM1 1415/4885CHRM2 1060/4885CHRM4 1872/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT CHRM1 1415/4885CHRM2 1060/4885CHRM4 1872/4885

“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.