SCHEMBL23830992

SCHEMBL23830992

Fc1cnc(O[C@@H]2CCNC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
HTR1A P08908 2/20 0.44
SLC6A2 P23975 2/20 0.44
PRKCZ Q05513 1/20 0.42
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
CHRM1 P11229 1/20 0.40

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
SCHEMBL23830994 1.00 CHRNB2 (0.46) CHRNB2CHRNA4HTR1ASLC6A2PRKCZ
Methane SCHEMBL29003897 0.98 CHRNB2 (0.45) CHRNB2CHRNA4HTR1ASLC6A2PRKCZ
SCHEMBL940760 0.89 HRH1 (0.43) HTR1ASLC6A2
SCHEMBL9900853 0.85 SLC6A2 (0.41) HTR1ASLC6A2HTR2CHTR2BCHRM1
Hydrochloric Acid SCHEMBL4114449 0.84 SLC6A2 (0.40) HTR1ASLC6A2HTR2CHTR2BCHRM1
SCHEMBL29003876 0.83 CHRNB2 (0.46) CHRNB2CHRNA4PRKCZHTR2CHTR2B
SCHEMBL29003843 0.83 CHRNB2 (0.46) CHRNB2CHRNA4PRKCZHTR2CHTR2B
SCHEMBL25072464 0.82 CHEK1 (0.45) CHRNB2CHRNA4HTR1ASLC6A2PRKCZ
SCHEMBL7889387 0.80 CHRNB2 (0.54) CHRNB2CHRNA4HTR1ASLC6A2PRKCZ
SCHEMBL4102786 0.80 CHRNB2 (0.54) CHRNB2CHRNA4HTR1ASLC6A2PRKCZ

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108456204-B Benzothiazine derivative, and preparation method and application thereof 四川大学 2023-05-26 CN disclosed
US-20210292305-A1 Cyclic Ureas SIRONAX LTD (KY) 2021-09-23 US disclosed
US-20210292305-A1 Cyclic Ureas SIRONAX LTD (KY) 2021-09-23 US disclosed
CN-113302183-A Cyclic ureas 圣瑞诺有限公司 2021-08-24 CN 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-20210292305-A1 Cyclic Ureas RIPK1, RIPK3, RIPK4 CHRNB2 4728/4885CHRNA4 4607/4885HTR1A 2665/4885

“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.