SCHEMBL21864002

SCHEMBL21864002

O=C(O)CNC(=O)[C@@H]1CCN1c1cc(F)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP5 P45974 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CHRM4 P08173 2/20 0.38
RAB9A P51151 1/20 0.38
P2RX7 Q99572 7/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
ALDH1A1 P00352 2/20 0.37
FFAR4 Q5NUL3 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL21660811 0.90 HTT (0.39) USP5PTGDR2RAB9AP2RX7POLB
SCHEMBL21864004 0.87 ALDH1A1 (0.41) CHRM4RAB9AP2RX7ALDH1A1
SCHEMBL21660770 0.82 EGLN1 (0.43) USP5CHRM4EGLN1ALDH1A1
SCHEMBL21864003 0.81 THRB (0.40) POLBPKMALDH1A1FFAR4
SCHEMBL21864164 0.81 PSMB5 (0.45) P2RX7ALDH1A1
SCHEMBL21864019 0.78 PSMB5 (0.60)
SCHEMBL21660803 0.78 KDM4E (0.44) RAB9AP2RX7ALDH1A1
SCHEMBL21660817 0.78 CHRM4 (0.45) PTGDR2CHRM4EGLN2EGLN1EGLN3
SCHEMBL21863999 0.76 ALDH1A1 (0.43) RAB9APOLBPKMALDH1A1
SCHEMBL21661134 0.76 CHRM2 (0.38) USP5CHRM4EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014943-B2 Azetidine derivative CHIA TAI TIANQING PHARMACEUTICAL GROUP GO., LTD. (CN) 2021-05-25 US disclosed
US-20200115392-A1 AZETIDINE DERIVATIVE CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-04-16 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 (2 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-11014943-B2 Azetidine derivative BCL9, MCL1, BCL9L USP5 350/4885PTGDR2 971/4885CHRM4 3740/4885
US-20200115392-A1 AZETIDINE DERIVATIVE BCL9, MCL1, BCL9L USP5 350/4885PTGDR2 971/4885CHRM4 3740/4885

“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.