SCHEMBL6978423

SCHEMBL6978423

[CH2]CCC1(O)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4774907 0.97
SCHEMBL128409 0.92
SCHEMBL131068 0.85
SCHEMBL9357814 0.82
SCHEMBL595778 0.82 CYP2C19 (0.37) CYP2C19USP2TSHRALDH1A1
SCHEMBL596112 0.77 CYP2C19 (0.34) CYP2C19USP2TSHRALDH1A1
SCHEMBL1039602 0.77
SCHEMBL596917 0.77 CYP2C19 (0.34) CYP2C19USP2TSHRALDH1A1
SCHEMBL5505112 0.76 CYP2C19 (0.32) CYP2C19USP2TSHRALDH1A1
SCHEMBL1580146 0.74 CYP2C19 (0.33) CYP2C19USP2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207876-A1 3-Azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. 2003-11-06 US claimed
EP-1292574-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES HAVING OPIOID RECEPTOR AFFINITY PFIZER INC. (US) 2003-03-19 EP claimed
US-20020025948-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-02-28 US claimed
WO-2001098267-A1 3-AZABICYCLO (3.1.0) HEXANE DERIVATIVES HAVING OPIOID RECEPTOR AFFINITY PFIZER LIMITED (GB) 2001-12-27 WO claimed
WO-2014167133-A1 FUNGICIDES COMPRISING BORON SYNGENTA PARTICIPATIONS AG (CH) 2014-10-16 WO disclosed
US-20030207876-A1 3-Azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. 2003-11-06 US disclosed
EP-1292574-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES HAVING OPIOID RECEPTOR AFFINITY PFIZER INC. (US) 2003-03-19 EP disclosed
US-20020025948-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-02-28 US disclosed
WO-2001098267-A1 3-AZABICYCLO (3.1.0) HEXANE DERIVATIVES HAVING OPIOID RECEPTOR AFFINITY PFIZER LIMITED (GB) 2001-12-27 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 (2 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-20030207876-A1 3-Azabicyclo[3.1.0]hexane derivatives useful in therapy OPRD1, OPRK1, OPRM1 CYP2C19 175/4885USP2 2749/4885TSHR 2306/4885
US-20020025948-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRD1, OPRK1, OPRM1 CYP2C19 175/4885USP2 2749/4885TSHR 2306/4885

“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.