SCHEMBL5143976

SCHEMBL5143976

COc1cccc2c1CCCC(NCc1ccccc1)C2

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.86
DRD3 P35462 5/20 0.62
DRD4 P21917 3/20 0.62
GRIN2B Q13224 2/20 0.59
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
ACHE P22303 1/20 0.55
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL29354627 0.93 DRD2 (1.00) DRD2DRD3DRD4GRIN2BCA1
SCHEMBL3320662 0.93 DRD2 (1.00) DRD2DRD3DRD4GRIN2BCA1
SCHEMBL338733 0.93 DRD2 (1.00) DRD2DRD3DRD4GRIN2BCA1
SCHEMBL15474018 0.93 DRD2 (1.00) DRD2DRD3DRD4GRIN2BCA1
SCHEMBL339286 0.93 DRD2 (1.00) DRD2DRD3DRD4GRIN2BCA1
SCHEMBL5146494 0.90 DRD2 (0.74) DRD2DRD3DRD4GRIN2BMTNR1A
SCHEMBL7543711 0.86 DRD2 (0.83) DRD2DRD3DRD4GRIN2BMTNR1A
SCHEMBL8074280 0.86 DRD2 (0.83) DRD2DRD3DRD4GRIN2BMTNR1A
SCHEMBL8074250 0.86 DRD2 (0.83) DRD2DRD3DRD4GRIN2BMTNR1A
Hydrochloric Acid SCHEMBL7932989 0.85 DRD2 (0.81) DRD2DRD3DRD4GRIN2BMTNR1A

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 7 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
US-6391915-B2 ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-21 US disclosed
US-20020006956-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-17 US disclosed
EP-0976720-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-02 EP 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 (2 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 DRD2 141/4885DRD3 175/4885DRD4 284/4885
US-20020006956-A1 Propanolamine derivatives PNLIP, ADRB1, FABP2 DRD2 115/4885DRD3 103/4885DRD4 190/4885

“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.