SCHEMBL5351518

SCHEMBL5351518

C=CCOCCc1ccc(OC(C)CNCC(C)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.36
▸ ADRB1 P08588 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ADRB2 P07550 2/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ CYP2J2 P51589 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADRB3 P13945 5/20 0.34
▸ MTNR1A P48039 1/20 0.34

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
SCHEMBL5351520 0.78 CYP2D6 (0.36) CYP2D6ADRB1LMNAMEN1KMT2A
SCHEMBL11299249 0.72 MTNR1A (0.44) ADRB1MEN1KMT2ACYP2C9ADRB2
SCHEMBL5351511 0.72 CYP2D6 (0.73) CYP2D6ADRB1LMNAMEN1KMT2A
SCHEMBL5852432 0.72 CYP2D6 (0.73) CYP2D6ADRB1LMNAMEN1KMT2A
SCHEMBL5347405 0.67 ESR1 (0.48) KMT2ABLMTMEM97SIGMAR1RAB9A
SCHEMBL14484198 0.67 MEN1 (0.46) CYP2D6ADRB1LMNAMEN1KMT2A
SCHEMBL10528219 0.66 ADRB1 (0.47) CYP2D6ADRB1LMNAMEN1KMT2A
SCHEMBL17055318 0.65 CA1 (0.52) CYP2D6ADRB1LMNACYP1A2ADRB2
SCHEMBL10613421 0.65 CYP2D6 (0.38) CYP2D6KMT2AGAAMTNR1AMTNR1B
SCHEMBL574859 0.64 TAAR1 (0.42) SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7227039-B2 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-06-05 — — US claimed
US-20060094903-A1 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-05-04 — — US claimed
US-7227039-B2 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-06-05 — — US disclosed
US-7227039-B2 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-06-05 — — US disclosed
US-7227039-B2 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-06-05 — — US disclosed
US-20060094903-A1 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-05-04 — — US disclosed
US-20060094903-A1 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-05-04 — — US disclosed
US-20060094903-A1 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-05-04 — — US 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-20060094903-A1 RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol ADRB1, ADRB2, ADRA1A CYP2D6 521/4885ADRB1 1/4885LMNA 1397/4885

“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.

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