SCHEMBL23124022

SCHEMBL23124022

COC(=O)N(C)C(C)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 5/20 0.58
▸ BCHE P06276 4/20 0.56
▸ ACHE P22303 4/20 0.56
▸ ADRA2B P18089 1/20 0.50
▸ ADRA2C P18825 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ SLC6A4 P31645 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ABCB1 P08183 1/20 0.48
▸ MAOB P27338 2/20 0.48
▸ CTRB1 P17538 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47

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
SCHEMBL18944040 0.84 ABCB1 (0.59) NPY5RBCHEACHEADRA2BADRA2C
SCHEMBL9927214 0.84 CTRB1 (0.49) NPY5RBCHEACHEADRA2BADRA2C
SCHEMBL12050814 0.83 BCHE (0.53) NPY5RBCHEACHEADRA2BADRA2C
SCHEMBL11588617 0.82 ADRA2B (0.61) NPY5RBCHEACHEADRA2BADRA2C
SCHEMBL9039372 0.82 NPC1 (0.47) NPY5RBCHEACHEADRA2BADRA2C
SCHEMBL23303475 0.82 MAPK1 (0.48) NPY5RNPC1RAB9AABCB1CTRB1
SCHEMBL23303478 0.82 MAPK1 (0.48) NPY5RNPC1RAB9AABCB1CTRB1
SCHEMBL7636288 0.81 NPY5R (0.55) NPY5RBCHEACHEADRA2BADRA2C
SCHEMBL14008051 0.81 NPY5R (0.55) NPY5RBCHEACHEADRA2BADRA2C
SCHEMBL7636285 0.81 NPY5R (0.55) NPY5RBCHEACHEADRA2BADRA2C

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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — US disclosed
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 — — 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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 NPY5R 1672/4885BCHE 271/4885ACHE 1160/4885

“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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