SCHEMBL23123778

SCHEMBL23123778

O=C(O)NCC1CCN(CCc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.61
SIGMAR1 Q99720 1/20 0.59
HTR2A P28223 3/20 0.58
HTR4 Q13639 2/20 0.57
ACHE P22303 2/20 0.55
LTA4H P09960 2/20 0.55
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
FAAH O00519 1/20 0.54
BCHE P06276 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL3594120 0.86 MAPT (0.55) SIGMAR1HTR2AHTR4HDAC1HDAC8
SCHEMBL3938952 0.86 HRH3 (0.56) SIGMAR1ACHELTA4HFAAHBCHE
SCHEMBL3598405 0.84 L3MBTL1 (0.50) CCR3SIGMAR1HTR2AHTR4LTA4H
SCHEMBL22594946 0.84 HTR2A (0.59) CCR3SIGMAR1HTR2AHTR4ACHE
SCHEMBL23122571 0.83 CCR3 (0.58) CCR3SIGMAR1HTR2AHTR4ACHE
SCHEMBL3594346 0.82 LTA4H (0.55) ACHELTA4HFAAHBCHE
SCHEMBL24833934 0.82 SIGMAR1 (0.57) CCR3SIGMAR1HTR2AHTR4LTA4H
Hydrochloric Acid SCHEMBL23122745 0.82 CCR3 (0.57) CCR3SIGMAR1HTR2AHTR4ACHE
Hydrochloric Acid SCHEMBL23122337 0.82 CCR3 (0.57) CCR3SIGMAR1HTR2AHTR4ACHE
SCHEMBL3938247 0.81 HTR1A (0.53) SIGMAR1HTR2AHTR4

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-20230002356-A1 COMPOUNDS AND USES THEREOF PANO THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
WO-2021055637-A1 COMPOUNDS AND USES THEREOF PANO THERAPEUTICS, 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-20230002356-A1 COMPOUNDS AND USES THEREOF HIF1AN, HIF1A, EGLN2 CCR3 3574/4885SIGMAR1 2406/4885HTR2A 4181/4885

“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.