SCHEMBL23802829

SCHEMBL23802829

c1ccc2c(C[C@@H]3CN[C@H](Cc4c[nH]c5ccccc45)CN[C@H](Cc4c[nH]c5ccccc45)CN[C@H](Cc4c[nH]c5ccccc45)CN3)c[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.68
SLC6A4 P31645 1/20 0.59
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
CYP3A4 P08684 2/20 0.56
MAPT P10636 2/20 0.56
AHR P35869 1/20 0.56
GPR84 Q9NQS5 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP2D6 P10635 2/20 0.51
BCHE P06276 1/20 0.51
MPO P05164 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50

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
SCHEMBL23802750 1.00 HTR6 (0.68) HTR6SLC6A4KMT2AMEN1CYP3A4
SCHEMBL30361714 0.98 HTR6 (0.69) HTR6SLC6A4KMT2AMEN1CYP3A4
SCHEMBL24178316 0.98 HTR6 (0.69) HTR6SLC6A4KMT2AMEN1CYP3A4
SCHEMBL24178288 0.98 HTR6 (0.69) HTR6SLC6A4KMT2AMEN1CYP3A4
SCHEMBL5442336 0.86 HTR6 (0.68) HTR6SLC6A4KMT2AMEN1CYP3A4
SCHEMBL13413612 0.86 HTR6 (0.68) HTR6SLC6A4KMT2AMEN1CYP3A4
Hydrochloric Acid SCHEMBL27533549 0.85 HTR6 (0.68) HTR6SLC6A4KMT2AMEN1CYP3A4
Hydrochloric Acid SCHEMBL27493748 0.85 HTR6 (0.68) HTR6SLC6A4KMT2AMEN1CYP3A4
SCHEMBL8488005 0.82 TACR2 (0.56) HTR6SLC6A4KMT2AMAPTKDM4E
SCHEMBL14595062 0.81 TACR2 (0.64) HTR6

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 HTR6 4667/4885SLC6A4 981/4885KMT2A 971/4885
US-20210283278-A1 CHIRAL CYCLEN COMPOUNDS AND THEIR USES DCTN3, DCTN1, CDK3 HTR6 4667/4885SLC6A4 981/4885KMT2A 971/4885

“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.