SCHEMBL21788702

SCHEMBL21788702

CC1C=CC=C(N2CCNC[C@H]2C)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.36
HTR2C P28335 9/20 0.34
GSK3B P49841 4/20 0.33
LATS1 O95835 1/20 0.33
ROCK1 Q13464 2/20 0.32
KCNH2 Q12809 1/20 0.32
HTR2B P41595 5/20 0.31
HTR2A P28223 4/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL1028438 0.68 SLC6A2 (0.57) RAD52HTR2CROCK1HTR2BHTR2A
SCHEMBL17884678 0.68 SLC6A2 (0.57) RAD52HTR2CROCK1HTR2BHTR2A
SCHEMBL17884836 0.68 SLC6A2 (0.57) RAD52HTR2CROCK1HTR2BHTR2A
Bromide SCHEMBL10498800 0.67 SLC6A2 (0.55) RAD52HTR2CROCK1HTR2BHTR2A
SCHEMBL22542020 0.67 ADRB1 (0.52) RAD52HTR2CGSK3BLATS1HTR2B
Hydrochloric Acid SCHEMBL6912062 0.67 SLC6A2 (0.55) RAD52HTR2CROCK1HTR2BHTR2A
Hydrochloric Acid SCHEMBL21340093 0.67 SLC6A2 (0.55) RAD52HTR2CROCK1HTR2BHTR2A
SCHEMBL22542046 0.67 ADRB1 (0.52) RAD52HTR2CGSK3BLATS1HTR2B
Hydrochloric Acid SCHEMBL21340085 0.67 SLC6A2 (0.55) RAD52HTR2CROCK1HTR2BHTR2A
SCHEMBL4025392 0.67 ADRB1 (0.52) RAD52HTR2CGSK3BLATS1HTR2B

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-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA RAD52 950/4885HTR2C 2906/4885GSK3B 4422/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA RAD52 950/4885HTR2C 2906/4885GSK3B 4422/4885

“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.