SCHEMBL5144052

SCHEMBL5144052

CCCCCCOc1ccc2c(c1)CC(NCc1ccccc1)CCC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.48
SIGMAR1 Q99720 1/20 0.46
DRD2 P14416 4/20 0.45
DRD3 P35462 3/20 0.45
KDM4E B2RXH2 2/20 0.44
FYN P06241 1/20 0.43
TAOK3 Q9H2K8 2/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
ADRB3 P13945 1/20 0.42
HTR1D P28221 1/20 0.41
GRIN1 Q05586 1/20 0.41
TAOK1 Q7L7X3 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
Hydrochloric Acid SCHEMBL8765759 0.98 GRIN2B (0.48) GRIN2BSIGMAR1DRD2DRD3KDM4E
SCHEMBL5145705 0.87 GRIN2B (0.50) GRIN2BSIGMAR1DRD2DRD3KDM4E
SCHEMBL5143709 0.85 GRIN2B (0.54) GRIN2BSIGMAR1KDM4EFYN
SCHEMBL5143730 0.83 DRD2 (0.57) GRIN2BSIGMAR1DRD2DRD3FYN
SCHEMBL8765599 0.83 DRD2 (0.57) GRIN2BSIGMAR1DRD2DRD3FYN
Hydrochloric Acid SCHEMBL5143756 0.83 MEN1 (0.52) KDM4ETAOK3PRMT5WDR77ADRB3
SCHEMBL5143763 0.83 SMN1; SMN2 (0.49) GRIN2BSIGMAR1KDM4EADRB3
Hydrochloric Acid SCHEMBL8765358 0.82 DRD2 (0.56) GRIN2BSIGMAR1DRD2DRD3FYN
Hydrochloric Acid SCHEMBL8766401 0.82 DRD2 (0.56) GRIN2BSIGMAR1DRD2DRD3FYN
Hydrochloric Acid SCHEMBL8765371 0.82 DRD2 (0.56) GRIN2BSIGMAR1DRD2DRD3FYN

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
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
EP-1070046-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
WO-1999051564-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-14 WO 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 GRIN2B 4555/4885SIGMAR1 809/4885DRD2 141/4885

“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.