SCHEMBL4664522

SCHEMBL4664522

O=C(O)C1CCN(Cc2ccnc3ccccc23)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK1 P28482 1/20 0.53
S1PR5 Q9H228 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
ARG1 P05089 1/20 0.48
ARG2 P78540 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD11B1 P28845 1/20 0.46
PDCD1LG2 Q9BQ51 2/20 0.44
CD274 Q9NZQ7 2/20 0.44
SYK P43405 1/20 0.44
TACR1 P25103 1/20 0.44
CYP2D6 P10635 1/20 0.44
S1PR4 O95977 1/20 0.44

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
SCHEMBL4664521 1.00 FAAH (0.55) FAAHALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL8230986 0.89 ALDH1A1 (0.52) FAAHALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4664465 0.81 TSHR (0.60) FAAHALDH1A1KDM4ESMN1; SMN2S1PR5
SCHEMBL5110651 0.81 TSHR (0.60) FAAHALDH1A1KDM4ESMN1; SMN2S1PR5
SCHEMBL17729123 0.80 FAAH (0.58) FAAHALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL23507385 0.79 LMNA (0.56) FAAHALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4662970 0.79 S1PR5 (0.53) ALDH1A1S1PR5L3MBTL1PDCD1LG2CD274
SCHEMBL4769598 0.79 S1PR5 (0.53) ALDH1A1S1PR5L3MBTL1PDCD1LG2CD274
SCHEMBL462483 0.77 CYP2D6 (0.41) L3MBTL1CYP2D6LTA4H
SCHEMBL28868545 0.77 ALDH1A1 (0.44) ALDH1A1S1PR5L3MBTL1PDCD1LG2CD274

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-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 WO disclosed
WO-2007120595-A2 AMINES FOR THE TREATMENT OF HCV NOVARTIS AG (CH) 2007-10-25 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 FAAH 2919/4885ALDH1A1 135/4885KDM4E 4021/4885

“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.