SCHEMBL5145405

SCHEMBL5145405

COc1ccc(OC)c2c1CCC(N(Cc1ccccc1)C[C@H](O)COc1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
POLB P06746 2/20 0.49
ADRB3 P13945 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
DRD4 P21917 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL5141951 0.83 DRD2 (0.60) DRD2POLBPRMT5WDR77ALDH1A1
Hydrochloric Acid SCHEMBL5145557 0.82 DRD2 (0.52) DRD2POLBMEN1KMT2APRMT5
SCHEMBL5143855 0.80 PRMT5 (0.47) DRD2POLBADRB3MEN1KMT2A
SCHEMBL5143641 0.77 PRMT5 (0.44) DRD2POLBADRB3MEN1KMT2A
SCHEMBL5143652 0.75 ALDH1A1 (0.48) DRD2POLBADRB3MEN1KMT2A
SCHEMBL5143959 0.75 ALDH1A1 (0.48) DRD2POLBADRB3MEN1KMT2A
SCHEMBL5146452 0.75 PRMT5 (0.48) DRD2POLBADRB3MEN1KMT2A
SCHEMBL7754502 0.73 POLB (0.46) DRD2POLBADRB3MEN1KMT2A
SCHEMBL7570285 0.73 NPSR1 (0.48) DRD2POLBADRB3PRMT5WDR77
SCHEMBL5146497 0.72 PRMT5 (0.49) POLBMEN1KMT2APRMT5WDR77

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 141/4885POLB 1386/4885ADRB3 12/4885

“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.