SCHEMBL16494166

SCHEMBL16494166

O=C(NC1CCCCC1)Oc1ccc2c(c1)CCN2Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.49
EPHX1 P07099 1/20 0.49
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
ACHE P22303 2/20 0.44
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.44
BCHE P06276 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ERBB4 Q15303 1/20 0.43

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
SCHEMBL16494560 0.87 ACHE (0.46) FAAHALDH1A1ACHEBCHEEGFR
SCHEMBL16494508 0.85 ACHE (0.60) FAAHEPHX1ALDH1A1RAB9AACHE
SCHEMBL16494500 0.85 ACHE (0.60) FAAHEPHX1ALDH1A1RAB9AACHE
SCHEMBL16494442 0.82 ACHE (0.46) ALDH1A1ACHEEGFRERBB2ERBB4
SCHEMBL16494107 0.81 ACHE (0.50) EPHX1ALDH1A1ACHEALOX5EPHX2
SCHEMBL16494610 0.81 BCHE (0.48) FAAHEPHX1ALDH1A1RAB9AACHE
SCHEMBL16494244 0.81 EGFR (0.42) ACHEEPHX2BCHEEGFRERBB2
SCHEMBL16494443 0.80 ACHE (0.60) FAAHEPHX1ACHEALOX5EPHX2
SCHEMBL16494279 0.80 EGFR (0.52) ALDH1A1RAB9AACHEBCHEEGFR
SCHEMBL16494866 0.78 BCHE (0.55) ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394990-A1 INDOLINE DERIVATIVES Kyoto University (JP) 2011-12-14 EP claimed
US-20110294850-A1 INDOLINE DERIVATIVES TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-12-01 US claimed
EP-2394990-A1 INDOLINE DERIVATIVES Kyoto University (JP) 2011-12-14 EP disclosed
US-20110294850-A1 INDOLINE DERIVATIVES TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-12-01 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-20110294850-A1 INDOLINE DERIVATIVES BCHE, ACHE, INMT FAAH 202/4885EPHX1 1172/4885ALDH1A1 392/4885

“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.