SCHEMBL418681

SCHEMBL418681

CNCc1ccccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.46
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
LIPG Q9Y5X9 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MC4R P32245 1/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
AKR1C3 P42330 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 3/20 0.41
ATM Q13315 1/20 0.41
GLA P06280 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL414456 0.83 GAA (0.65) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL416461 0.82 ACHE (0.51) ALDH1A1GAAKMT2AMEN1SMN1; SMN2
SCHEMBL27737040 0.81 GRM5 (0.48) RBP4GAAKMT2AMEN1AKR1C3
SCHEMBL1902630 0.80 NCF1 (0.55) RBP4MC4RGAAKMT2AMEN1
SCHEMBL29939879 0.80 KMT2A (0.60) MC4RGAAKMT2AMEN1
SCHEMBL414567 0.80 NCF1 (0.58)
SCHEMBL27737005 0.79 GAA (0.46) RBP4ALDH1A1GAAKMT2AMEN1
SCHEMBL6224150 0.78 F10 (0.45) FABP3FABP4LIPGKMT2AMEN1
SCHEMBL16573967 0.78 LIPG (0.52) FABP3FABP4LIPGALDH1A1GAA
SCHEMBL415624 0.77 DRD2 (0.51) LIPGKMT2AMEN1

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
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 RBP4 1869/4885FABP3 4348/4885FABP4 3859/4885

“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.