SCHEMBL24569593

SCHEMBL24569593

CN(CCN1CCNCC1)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.50
ACHE P22303 1/20 0.50
HRH3 Q9Y5N1 2/20 0.47
OPRM1 P35372 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
DRD4 P21917 1/20 0.45
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44

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
SCHEMBL5147435 0.87 HRH3 (0.60) ACHEHRH3SIGMAR1
SCHEMBL28037481 0.83 ALDH1A1 (0.58) ACHEHRH3
SCHEMBL6643053 0.80 L3MBTL1 (0.58) OPRD1SIGMAR1
SCHEMBL16565555 0.77 ALDH1A1 (0.50) ACHEHRH3
SCHEMBL11210779 0.76 KMT2A (0.56) ACHECDK4CCND1
SCHEMBL24569592 0.76 MEN1 (0.49) ACHE
SCHEMBL2362568 0.75 ALDH1A1 (0.56) ACHEHRH3SIGMAR1
SCHEMBL16565552 0.75 KDM4E (0.51) ACHEHRH3
SCHEMBL12015834 0.75 SIGMAR1 (0.43) ACHESIGMAR1
SCHEMBL250597 0.74 ACHE (0.63) ACHE

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-11492340-B2 Heteroaromatic electrophiles and methods of using thereof OHIO STATE INNOVATION FOUNDATION (US) 2022-11-08 US disclosed
US-20220204472-A1 HETEROAROMATIC ELECTROPHILES AND METHODS OF USING THEREOF OHIO STATE INNOVATION FOUNDATION 2022-06-30 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-11492340-B2 Heteroaromatic electrophiles and methods of using thereof ACHE, BCHE, CHAT OPRD1 2024/4885ACHE 1/4885HRH3 470/4885
US-20220204472-A1 HETEROAROMATIC ELECTROPHILES AND METHODS OF USING THEREOF ACHE, BCHE, CHAT OPRD1 2024/4885ACHE 1/4885HRH3 470/4885

“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.