SCHEMBL5143763

SCHEMBL5143763

CCCCNC(=O)COc1ccc2c(c1)CC(NCc1ccccc1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
TSHR P16473 1/20 0.48
RECQL P46063 1/20 0.48
HTT P42858 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
ADRB3 P13945 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
NPY5R Q15761 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
PKM P14618 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL5144024 0.87 ADRB3 (0.50) TSHRRECQLHTTMEN1KMT2A
Oxalic Acid SCHEMBL5143858 0.85 ADRB3 (0.49) TSHRRECQLHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL8766339 0.84 ADRB3 (0.48) SMN1; SMN2HPGDALOX12TSHRHTT
SCHEMBL5143860 0.84 MAPT (0.53) SMN1; SMN2HPGDALOX12HTTMAPT
SCHEMBL8765648 0.83 ADRB3 (0.64) SMN1; SMN2HPGDALOX12TSHRMAPT
SCHEMBL5143758 0.83 ADRB3 (0.64) SMN1; SMN2HPGDALOX12TSHRMAPT
SCHEMBL5146479 0.83 GRIN2B (0.48) SMN1; SMN2HPGDALOX12TSHRHTT
SCHEMBL5144052 0.83 GRIN2B (0.48) ADRB3KDM4ESIGMAR1GRIN2B
Hydrochloric Acid SCHEMBL8765759 0.83 GRIN2B (0.48) MEN1KMT2AADRB3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5146443 0.83 ADRB3 (0.50) TSHRRECQLHTTMEN1KMT2A

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 SMN1; SMN2 853/4885HPGD 1519/4885ALOX12 269/4885

“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.