SCHEMBL21527445

SCHEMBL21527445

CCN1CCC2(CC1)CN2C(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL24091674 0.86 TSHR (0.37) TSHR
SCHEMBL25899269 0.85 KDM4E (0.33) TSHRKDM4EGAA
SCHEMBL24035086 0.78 TSHR (0.33) TSHR
SCHEMBL20345514 0.76 CYP2D6 (0.39) KDM4E
SCHEMBL24091632 0.75 TSHR (0.32) TSHR
SCHEMBL25090320 0.75 TSHR (0.32) TSHR
SCHEMBL21008274 0.71 TSHR (0.42) TSHRKDM4EGAA
SCHEMBL12894661 0.70 KDM4E (0.36) TSHRKDM4EGAA
SCHEMBL24951672 0.70 — —
SCHEMBL18806138 0.69 TSHR (0.41) TSHRKDM4EGAA

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
US-20230014173-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2023-01-19 — — US disclosed
US-11180472-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2021-11-23 — — US disclosed
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2020-07-30 — — US disclosed
US-20190330189-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2019-10-31 — — 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 (4 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-11180472-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 TSHR 3121/4885KDM4E 3387/4885GAA 433/4885
US-20190330189-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 TSHR 3121/4885KDM4E 3387/4885GAA 433/4885
US-20230014173-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 TSHR 3121/4885KDM4E 3387/4885GAA 433/4885
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 TSHR 3121/4885KDM4E 3387/4885GAA 433/4885

“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.

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