SCHEMBL3908655

SCHEMBL3908655

COc1cccc2c1C(O)(CN)CCC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 1/20 0.39
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2A P28223 2/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
SIGMAR1 Q99720 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
SCHEMBL7565934 0.79 ALDH1A1 (0.42) DRD2DRD3HTR2AKMT2ASIGMAR1
SCHEMBL9457900 0.77 HTR5A (0.40) HTR5ADRD2DRD3HTR7LMNA
SCHEMBL11082282 0.76 CYP3A4 (0.39) LMNA
SCHEMBL9358367 0.76 HTR5A (0.44) HTR5ADRD2DRD3LMNASMN1; SMN2
SCHEMBL26889686 0.73 HTR5A (0.42) HTR5ADRD2DRD3
SCHEMBL1333907 0.72 KDM1A (0.47) DRD2HTR2AMEN1KMT2ASIGMAR1
SCHEMBL6567499 0.72 KDM1A (0.48) SIGMAR1
SCHEMBL23023377 0.71 HTR5A (0.46) HTR5ADRD2DRD3LMNASMN1; SMN2
SCHEMBL12789703 0.71 ADRA2A (0.49) DRD2DRD3HTR2A
SCHEMBL11077411 0.71 KDM1A (0.57) HTR5ADRD2DRD3LMNASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1382333-B1 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria ASTELLAS PHARMA INC (JP) 2009-02-25 EP disclosed
US-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 US disclosed
EP-1382333-A2 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-21 EP disclosed
US-6495546-B1 SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-20020120148-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-08-29 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-20020120148-A1 Propanolamine derivatives AMY2A, PNMT, PNLIP HTR5A 174/4885DRD2 141/4885DRD3 175/4885

“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.