SCHEMBL18357598

SCHEMBL18357598

NCC1CC2(CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 11/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ CHRM4 P08173 4/20 0.42
▸ SLC6A4 P31645 1/20 0.40
▸ LIPE Q05469 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ KCNA5 P22460 1/20 0.39

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
SCHEMBL18357761 0.82 FFAR4 (0.46) FFAR4KCNH2SLC6A4LIPEKCNA5
SCHEMBL18357421 0.82 KCNH2 (0.42) KCNH2CHRM4SLC6A4LIPEKCNA5
SCHEMBL18357665 0.79 FFAR4 (0.43) FFAR4KCNH2CHRM4LIPEKCNA5
SCHEMBL24199057 0.78 CHRM4 (0.43) FFAR4KCNH2CHRM4SLC6A4KCNA5
SCHEMBL18357721 0.75 CHRM4 (0.41) FFAR4KCNH2CHRM4SLC6A4DRD3
SCHEMBL20345536 0.75 CHRM4 (0.41) FFAR4KCNH2CHRM4SLC6A4DRD3
SCHEMBL18357675 0.75 LIPE (0.42) FFAR4KCNH2CHRM4LIPEKCNA5
SCHEMBL22904442 0.73 LCAT (0.47) FFAR4KCNH2CHRM4LIPEKCNA5
SCHEMBL17878026 0.73 ALDH1A1 (0.48) KCNH2CHRM4SLC6A4DRD3KCNA5
SCHEMBL20345588 0.72 LOXL2 (0.35) FFAR4CHRM4

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 8 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
US-10364232-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2019-07-30 — — US disclosed
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 — — US disclosed
US-20180186768-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-07-05 — — US disclosed
WO-2017001660-A1 ANTIBACTERIAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-01-05 — — WO 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 (6 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 FFAR4 4595/4885KCNH2 3752/4885CHRM4 3837/4885
US-20190330189-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 FFAR4 4595/4885KCNH2 3752/4885CHRM4 3837/4885
US-10364232-B2 Antibacterial compounds FDPS, SQOR, NDUFS3 FFAR4 4595/4885KCNH2 3752/4885CHRM4 3837/4885
US-20180186768-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 FFAR4 4595/4885KCNH2 3752/4885CHRM4 3837/4885
US-20230014173-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 FFAR4 4595/4885KCNH2 3752/4885CHRM4 3837/4885
US-20200239434-A1 ANTIBACTERIAL COMPOUNDS FDPS, SQOR, NDUFS3 FFAR4 4595/4885KCNH2 3752/4885CHRM4 3837/4885

“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.

Send feedback