SCHEMBL22644328

SCHEMBL22644328

C[C@@H]1NCC[C@@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.47
▸ GRM4 Q14833 1/20 0.44
▸ TAS1R3 Q7RTX0 2/20 0.43
▸ TAS1R1 Q7RTX1 2/20 0.43
▸ TAS1R2 Q8TE23 2/20 0.43
▸ KDR P35968 8/20 0.42
▸ BRAF P15056 4/20 0.42
▸ UBE2M P61081 1/20 0.41
▸ DCUN1D1 Q96GG9 1/20 0.41
▸ CDK8 P49336 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ WRN Q14191 1/20 0.40

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
Hydrochloric Acid SCHEMBL29621642 0.85 NPC1 (0.45) KMT2A
SCHEMBL16670995 0.84 GAA (0.46) GRM4KDRBLM
SCHEMBL9892929 0.84 AR (0.49) ARGRM4TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL29621767 0.83 GAA (0.45) GRM4KDRBLM
SCHEMBL22644365 0.83 KMT2A (0.52) KMT2A
SCHEMBL24515714 0.83 AR (0.51) ARGRM4TAS1R3TAS1R1TAS1R2
Hydrochloric Acid SCHEMBL29621649 0.82 KMT2A (0.51) KMT2A
Hydrochloric Acid SCHEMBL29621803 0.81 IDO1 (0.41) KDRKMT2A
SCHEMBL22644329 0.80 GRM4 (0.45) GRM4KMT2ABLMWRN
SCHEMBL29458395 0.80 GRM4 (0.45) GRM4KMT2ABLMWRN

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-20200352925-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2020-11-12 — — US disclosed
WO-2020225230-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-11-12 — — 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-20200352925-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES HDGF, FABP1, NR1H4 AR 3755/4885GRM4 3675/4885TAS1R3 4454/4885

“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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