SCHEMBL5146600

SCHEMBL5146600

COc1ccc(OC)c2c1CCC(NCc1ccccc1)CC2

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.71
GRIN2B Q13224 4/20 0.64
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
BACE1 P56817 2/20 0.51
DRD3 P35462 2/20 0.50
POLB P06746 1/20 0.50
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
RB1 P06400 1/20 0.48
DRD4 P21917 1/20 0.48
ALDH1A1 P00352 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
SCHEMBL24733396 0.93 DRD2 (0.74) DRD2GRIN2BACHEDRD3RB1
SCHEMBL5791538 0.84 DRD2 (0.67) DRD2GRIN2BACHEDRD3RB1
SCHEMBL339286 0.84 DRD2 (1.00) DRD2GRIN2BACHEDRD3DRD4
SCHEMBL15474018 0.84 DRD2 (1.00) DRD2GRIN2BACHEDRD3DRD4
SCHEMBL29354627 0.84 DRD2 (1.00) DRD2GRIN2BACHEDRD3DRD4
SCHEMBL338733 0.84 DRD2 (1.00) DRD2GRIN2BACHEDRD3DRD4
SCHEMBL3320662 0.84 DRD2 (1.00) DRD2GRIN2BACHEDRD3DRD4
Hydrochloric Acid SCHEMBL10447152 0.83 DRD2 (0.61) DRD2GRIN2BMEN1KMT2ABCHE
SCHEMBL8074250 0.82 DRD2 (0.83) DRD2GRIN2BDRD3DRD4
SCHEMBL7543711 0.82 DRD2 (0.83) DRD2GRIN2BDRD3DRD4

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 DRD2 141/4885GRIN2B 4555/4885MEN1 1043/4885

“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.