SCHEMBL23802802

SCHEMBL23802802

c1ncc(C[C@H]2CN[C@@H](Cc3cnc[nH]3)CN[C@@H](Cc3cnc[nH]3)CN[C@@H](Cc3cnc[nH]3)CN2)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.62
HRH4 Q9H3N8 9/20 0.55
HTR3A P46098 1/20 0.55
PKM P14618 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HRH2 P25021 2/20 0.44
LMNA P02545 1/20 0.44
MIF P14174 1/20 0.44
TSHR P16473 1/20 0.44
HRH1 P35367 1/20 0.44
APEX1 P27695 1/20 0.42

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
SCHEMBL23802746 1.00 HRH3 (0.62) HRH3HRH4HTR3APKMCHRM2
SCHEMBL23802897 0.76 HRH3 (0.40) HRH3HRH4HTR3AKDM4EPMP22
SCHEMBL29524669 0.72
SCHEMBL12895537 0.72 HRH4 (0.65) HRH3HRH4HTR3APKMCHRM2
SCHEMBL23802918 0.72 ALDH1A1 (0.42) HRH3HRH4HTR3AKDM4EPMP22
SCHEMBL18325628 0.71 HRH4 (1.00) HRH3HRH4HTR3A
Immepip SCHEMBL3338054 0.69 HRH3 (1.00) HRH3HRH4HTR3ACHRM2CHRM4
Immepip SCHEMBL29769900 0.68 HRH3 (1.00) HRH3HRH4HTR3ACHRM2CHRM4
SCHEMBL8963903 0.68 HRH3 (0.73) HRH3HRH4PKMHRH2LMNA
SCHEMBL6448175 0.65 HRH4 (0.50) HRH3HRH4HTR3ACHRM2CHRM4

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-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2021-09-16 US claimed
US-11357873-B2 Chiral cyclen compounds and their uses THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2022-06-14 US disclosed
US-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2021-09-16 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-11357873-B2 Chiral cyclen compounds and their uses DCTN3, DCTN1, CDK3 HRH3 912/4885HRH4 2570/4885HTR3A 386/4885
US-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES DCTN3, DCTN1, CDK3 HRH3 912/4885HRH4 2570/4885HTR3A 386/4885

“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.