SCHEMBL5142002

SCHEMBL5142002

[O]CC(=O)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.53
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
LMNA P02545 1/20 0.49
BCHE P06276 1/20 0.46
CNR1 P21554 2/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
BCAT2 O15382 1/20 0.46
DUT P33316 1/20 0.46
EPHX2 P34913 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CNR2 P34972 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P2RX7 Q99572 1/20 0.44
ASAH1 Q13510 1/20 0.44
KDM1A O60341 1/20 0.44

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
SCHEMBL5142006 0.84 TACR1 (0.56) TACR1SLC1A2SLC1A1LMNABCHE
SCHEMBL4862612 0.82 ALDH1A1 (0.51) TACR1SLC1A2SLC1A1LMNABCHE
SCHEMBL6290368 0.82 TACR1 (0.51) TACR1SLC1A2SLC1A1LMNABCHE
SCHEMBL7310626 0.82 MMP2 (0.60) TACR1SLC1A2SLC1A1LMNABCHE
SCHEMBL2726717 0.81 LMNA (0.53) TACR1SLC1A2SLC1A1LMNACNR1
SCHEMBL6259991 0.81 SLC1A2 (0.56) TACR1SLC1A2SLC1A1LMNABCHE
SCHEMBL662614 0.78 TACR1 (0.48) TACR1SLC1A2SLC1A1LMNABCHE
SCHEMBL3903374 0.78 BCAT2 (0.72) TACR1SLC1A2SLC1A1LMNACNR1
SCHEMBL2091812 0.78 MTNR1A (0.67) TACR1LMNACNR1MTNR1AMTNR1B
SCHEMBL6646425 0.77 ASAH1 (0.68) SLC1A2SLC1A1DUTEPHX2SMN1; SMN2

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 TACR1 263/4885SLC1A2 2291/4885SLC1A1 2411/4885

“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.