SCHEMBL416746

SCHEMBL416746

O=C(O)CCCC1CNc2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.40
EGFR P00533 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR7 P34969 2/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR6 P50406 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL3963694 0.83 TACR2 (0.43) TACR2MEN1KMT2APTGDR2
SCHEMBL3959411 0.83 TACR2 (0.43) TACR2MEN1KMT2APTGDR2
SCHEMBL3959416 0.83 TACR2 (0.43) TACR2MEN1KMT2APTGDR2
SCHEMBL8524579 0.80 EGFR (0.52) EGFRHDAC6HTR2CADRA1A
SCHEMBL3956308 0.80 TACR2 (0.39) TACR2HTR7DRD2DRD1HTR2A
SCHEMBL3956306 0.80 TACR2 (0.39) TACR2HTR7DRD2DRD1HTR2A
SCHEMBL14234588 0.77 EGFR (0.35) EGFR
SCHEMBL8260934 0.77 TACR2 (0.39) TACR2MEN1KMT2AHTR7HTR2A
SCHEMBL5493492 0.77 TACR2 (0.39) TACR2HTR7HTR2AHTR2C
SCHEMBL6693938 0.76 TACR2 (0.40) TACR2PTGDR2

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 TACR2 4572/4885EGFR 2925/4885HDAC6 418/4885

“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.