SCHEMBL22142102

SCHEMBL22142102

CCC(C)(C)C1CCCCNC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.33
KCNH2 Q12809 2/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CCR2 P41597 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL12059692 0.94 HTR2A (0.33) KCNH2CYP2D6KDM4EHTR2A
SCHEMBL22570149 0.94 HTR2A (0.33) KCNH2CYP2D6KDM4EHTR2A
SCHEMBL27014297 0.85 KCNH2 (0.39) KCNH2KDM4E
SCHEMBL23222402 0.81 KDM4E (0.37) KDM4E
SCHEMBL21191622 0.80 HTR2A (0.33) KCNH2KDM4EHTR2A
SCHEMBL10129028 0.79 SSTR4 (0.36) SSTR4KCNH2CYP2D6SLC6A2SLC6A4
SCHEMBL14092960 0.79 SSTR4 (0.36) SSTR4KCNH2CYP2D6SLC6A2SLC6A4
SCHEMBL8759751 0.78 KDM4E (0.38) KDM4E
SCHEMBL13930780 0.78 SLC6A1 (0.32) SSTR4KCNH2CYP2D6KDM4EHTR2A
SCHEMBL21191562 0.77 HTR2A (0.37) HTR2A

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-20230295113-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD 2023-09-21 US disclosed
US-11168093-B2 Thienopyridine inhibitors of RIPK2 CELGENE CORPORATION (US) 2021-11-09 US disclosed
US-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 CELGENE CORPORATION 2020-06-25 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 (3 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-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 SSTR4 4775/4885KCNH2 1015/4885CYP2D6 2953/4885
US-20230295113-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 SSTR4 4733/4885KCNH2 3950/4885CYP2D6 3524/4885
US-11168093-B2 Thienopyridine inhibitors of RIPK2 RIPK2, RIPK1, RIPK4 SSTR4 4775/4885KCNH2 1015/4885CYP2D6 2953/4885

“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.