SCHEMBL7608541

SCHEMBL7608541

CCCOc1cccc(OCCN(CC)C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
MAPT P10636 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
CHRNA7 P36544 1/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.39

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
SCHEMBL7863707 0.92 TSHR (0.51) TSHRKDM4EKMT2AGPBAR1CYSLTR1
SCHEMBL7863714 0.91 TSHR (0.51) TSHRKDM4EGPBAR1CYSLTR1LMNA
SCHEMBL12744954 0.89 TSHR (0.51) TSHRKDM4EKMT2ALMNA
SCHEMBL7609143 0.88 TSHR (0.47) TSHRKDM4EKMT2AGPBAR1CYSLTR1
SCHEMBL7608283 0.84 CHRNB2 (0.56) TSHRKDM4EKMT2AGPBAR1CYSLTR1
SCHEMBL27010001 0.83 LTA4H (0.51) TSHRKDM4ECHRNB2CHRNA4CHRNA7
Edronocaine SCHEMBL29388132 0.83 KDM4E (0.50) TSHRKDM4EKMT2AGPBAR1CYSLTR1
Edronocaine SCHEMBL7612799 0.83 KDM4E (0.50) TSHRKDM4EKMT2AGPBAR1CYSLTR1
SCHEMBL7863703 0.80 KDM4E (0.67) TSHRKDM4EKMT2AMAPTCHRNA7
1,3-Dipropoxybenzene SCHEMBL73716 0.79 KMT2A (0.63) TSHRKDM4EKMT2AGPBAR1CYSLTR1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020127249-A1 NOVEL FORMULATION FOR USE IN PAIN MANAGEMENT BERGENSTAHL BJORN (SE) 2002-09-12 US claimed
US-6310252-B1 AS TOPICAL ANAESTHETICS ASTRAZENECA AB (SE) 2001-10-30 US claimed
EP-1047412-A1 NEW USE OF LOCAL ANAESTHETICS AGAINST VASCULAR HEADACHES AstraZeneca AB (SE) 2000-11-02 EP claimed
EP-1033970-A1 NOVEL FORMULATION FOR USE IN PAIN MANAGEMENT AstraZeneca AB (SE) 2000-09-13 EP claimed
WO-1999032103-A1 NEW USE OF LOCAL ANAESTHETICS AGAINST VASCULAR HEADACHES ASTRAZENECA AB (SE) 1999-07-01 WO claimed
WO-1999022717-A1 NOVEL FORMULATION FOR USE IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-05-14 WO claimed
EP-0858445-A1 NEW (3-ALKOXY-PHENOXY)-ETHYL]-DIALKYLAMINE DERIVATIVES AND THEIR USE AS LOCAL ANAESTHETICS Astra Aktiebolag (SE) 1998-08-19 EP claimed
WO-1997015548-A1 NEW [(3-ALKOXY-PHENOXY)-ETHYL]-DIALKYLAMINE DERIVATIVES AND THEIR USE AS LOCAL ANAESTHETICS ASTRA AKTIEBOLAG (SE) 1997-05-01 WO claimed
US-20020127249-A1 NOVEL FORMULATION FOR USE IN PAIN MANAGEMENT BERGENSTAHL BJORN (SE) 2002-09-12 US disclosed
EP-0858445-B1 NEW [(3-ALKOXY-PHENOXY)-ETHYL]-DIALKYLAMINE DERIVATIVES AND THEIR USE AS LOCAL ANAESTHETICS ASTRAZENECA AB (SE) 2002-03-27 EP disclosed
US-6310252-B1 AS TOPICAL ANAESTHETICS ASTRAZENECA AB (SE) 2001-10-30 US disclosed
EP-1047412-A1 NEW USE OF LOCAL ANAESTHETICS AGAINST VASCULAR HEADACHES AstraZeneca AB (SE) 2000-11-02 EP disclosed
EP-1033970-A1 NOVEL FORMULATION FOR USE IN PAIN MANAGEMENT AstraZeneca AB (SE) 2000-09-13 EP disclosed
WO-1999032103-A1 NEW USE OF LOCAL ANAESTHETICS AGAINST VASCULAR HEADACHES ASTRAZENECA AB (SE) 1999-07-01 WO disclosed
WO-1999022717-A1 NOVEL FORMULATION FOR USE IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-05-14 WO disclosed
EP-0858445-A1 NEW (3-ALKOXY-PHENOXY)-ETHYL]-DIALKYLAMINE DERIVATIVES AND THEIR USE AS LOCAL ANAESTHETICS Astra Aktiebolag (SE) 1998-08-19 EP disclosed
WO-1997015548-A1 NEW [(3-ALKOXY-PHENOXY)-ETHYL]-DIALKYLAMINE DERIVATIVES AND THEIR USE AS LOCAL ANAESTHETICS ASTRA AKTIEBOLAG (SE) 1997-05-01 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-20020127249-A1 NOVEL FORMULATION FOR USE IN PAIN MANAGEMENT OPRL1, OPRM1, TRPV1 TSHR 4465/4885KDM4E 3444/4885KMT2A 3421/4885

“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.