SCHEMBL6245224

SCHEMBL6245224

O=C(NC1(c2ccccc2)CCCCC1)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.58
SSTR4 P31391 1/20 0.55
TRPV1 Q8NER1 10/20 0.52
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL29739298 0.92 FAAH (0.51) FAAHSSTR4TRPV1ALDH1A1RAB9A
SCHEMBL18335854 0.82 FAAH (0.55) FAAHTRPV1ALDH1A1RAB9A
SCHEMBL6620132 0.80 SSTR4 (0.59) SSTR4
SCHEMBL5675472 0.79 FAAH (0.72) FAAHTRPV1ALDH1A1RAB9A
SCHEMBL30408248 0.79 FAAH (0.59) FAAHTRPV1ALDH1A1RAB9A
SCHEMBL19275676 0.79 FAAH (0.59) FAAHTRPV1ALDH1A1RAB9A
SCHEMBL21618459 0.79 FAAH (0.59) FAAHTRPV1ALDH1A1RAB9A
SCHEMBL19275674 0.79 FAAH (0.59) FAAHTRPV1ALDH1A1RAB9A
SCHEMBL1954713 0.78 FAAH (0.58) FAAHTRPV1ALDH1A1RAB9A
SCHEMBL4335228 0.78 SSTR4 (0.51) SSTR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556454-A1 COMPOUNDS HAVING A SECONDARY OR TERTIARY HYDROXY OR HALIDE GROUP SEPARATED FROM A PRIMARY CARBAMATE GROUP BY THREE OR MORE CARBON ATOMS AND A METHOD OF MAKING THE SAME Basf Corporation (US) 2005-07-27 EP claimed
WO-2004041948-A1 COMPOUNDS HAVING A SECONDARY OR TERTIARY HYDROXY OR HALIDE GROUP SEPARATED FROM A PRIMARY CARBAMATE GROUP BY THREE OR MORE CARBON ATOMS AND A METHOD OF MAKING THE SAME BASF CORPORATION (US) 2004-05-21 WO claimed
US-20040087738-A1 Compounds having a secondary or tertiary hydroxy or halide group separated from a primary carbamate group by three or more carbon atoms and a method of making the same BASF CORPORATION 2004-05-06 US claimed

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-20040087738-A1 Compounds having a secondary or tertiary hydroxy or halide group separated from a primary carbamate group by three or more carbon atoms and a method of making the same HCRTR1, HRH4, HCRTR2 FAAH 26/4885SSTR4 117/4885TRPV1 2712/4885

“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.