SCHEMBL5145705

SCHEMBL5145705

COCCOc1ccc2c(c1)CC(NCc1ccccc1)CCC2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.50
DRD2 P14416 4/20 0.47
KDM4E B2RXH2 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
FYN P06241 1/20 0.44
DRD3 P35462 3/20 0.44
GRIN1 Q05586 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PPARA Q07869 1/20 0.41
HRH3 Q9Y5N1 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
SCHEMBL5143730 0.88 DRD2 (0.57) GRIN2BDRD2SIGMAR1FYNDRD3
SCHEMBL8765599 0.88 DRD2 (0.57) GRIN2BDRD2SIGMAR1FYNDRD3
SCHEMBL5144052 0.87 GRIN2B (0.48) GRIN2BDRD2KDM4ESIGMAR1FYN
Hydrochloric Acid SCHEMBL8765759 0.87 GRIN2B (0.48) GRIN2BDRD2KDM4ESIGMAR1FYN
SCHEMBL5143709 0.86 GRIN2B (0.54) GRIN2BKDM4ESIGMAR1FYNNPC1
Hydrochloric Acid SCHEMBL8765358 0.86 DRD2 (0.56) GRIN2BDRD2SIGMAR1FYNDRD3
Hydrochloric Acid SCHEMBL8766401 0.86 DRD2 (0.56) GRIN2BDRD2SIGMAR1FYNDRD3
Hydrochloric Acid SCHEMBL8765371 0.86 DRD2 (0.56) GRIN2BDRD2SIGMAR1FYNDRD3
Hydrochloric Acid SCHEMBL8765865 0.83 ALDH1A1 (0.56) GRIN2BDRD2SIGMAR1FYNDRD3
SCHEMBL388799 0.83 GRIN2B (0.56) GRIN2BDRD2SIGMAR1DRD3GRIN1

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 4555/4885DRD2 141/4885KDM4E 3117/4885

“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.