SCHEMBL18171813

SCHEMBL18171813

CN(C)C(=O)C(N)Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.44
▸ DPP4 P27487 4/20 0.44
▸ TPH1 P17752 2/20 0.44
▸ SLC7A5 Q01650 2/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ FAP Q12884 2/20 0.42
▸ DPP8 Q6V1X1 2/20 0.42
▸ DPP9 Q86TI2 2/20 0.42
▸ DPP7 Q9UHL4 2/20 0.42
▸ ALPI P09923 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ XIAP P98170 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ AOC3 Q16853 1/20 0.41
▸ GRB2 P62993 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 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
SCHEMBL18171811 1.00 TDP1 (0.44) TDP1DPP4TPH1SLC7A5TRPA1
SCHEMBL28097095 0.84 SLC7A5 (0.44) TDP1SLC7A5ALPIPKMPTGS1
SCHEMBL10435928 0.84 SLC7A5 (0.62) DPP4SLC7A5ALPIPKMPTGS1
SCHEMBL29964940 0.83 TDP1 (0.46) TDP1DPP4TPH1SLC7A5FAP
Hydrochloric Acid SCHEMBL6164908 0.83 SLC7A5 (0.43) TDP1DPP4TPH1SLC7A5DPP8
Hydrochloric Acid SCHEMBL6165185 0.83 SLC7A5 (0.61) DPP4SLC7A5ALPIPKMPTGS1
Hydrochloric Acid SCHEMBL6164900 0.83 SLC7A5 (0.43) TDP1DPP4TPH1SLC7A5DPP8
Hydrochloric Acid SCHEMBL6165180 0.83 SLC7A5 (0.61) DPP4SLC7A5ALPIPKMPTGS1
SCHEMBL1764633 0.82 ALPI (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL30959049 0.82 ALPI (0.63) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 — — US disclosed
EP-3286174-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 — — EP disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 — — 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E TDP1 1280/4885DPP4 3366/4885TPH1 2775/4885

“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.

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