SCHEMBL22802198

SCHEMBL22802198

O=CN(c1ccc2cc(F)ccc2c1)[C@H](C(=O)NCCCc1cccnc1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.42
▸ PTAFR P25105 8/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ TBXAS1 P24557 2/20 0.38
▸ ACP1 P24666 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL22802205 0.90 NAMPT (0.41) NAMPTPTAFRHDAC8TBXAS1ACP1
SCHEMBL20777203 0.78 NAMPT (0.51) NAMPTPTAFRCNR1CNR2HDAC8
SCHEMBL22802202 0.78 NAMPT (0.51) NAMPTPTAFRCNR1CNR2HDAC8
SCHEMBL20777174 0.74 GPR132 (0.51) NAMPTPTAFRHDAC8TBXAS1
SCHEMBL22802207 0.74 GPR132 (0.51) NAMPTPTAFRHDAC8TBXAS1
SCHEMBL22802171 0.71 CNR1 (0.48) CNR1CNR2HDAC8
SCHEMBL22802212 0.67 ROCK2 (0.44) CNR1CNR2HDAC8
SCHEMBL15162082 0.67 HDAC8 (0.56) PTAFRCNR1CNR2HDAC8TBXAS1
SCHEMBL22802245 0.66 CNR1 (0.45) CNR1CNR2HDAC8
SCHEMBL22822686 0.64 CNR1 (0.45) CNR1CNR2HDAC8

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-12371406-B2 Dual acting FKBP12 and FKBP52 inhibitors PLEX PHARMACEUTICALS, INC. (US) 2025-07-29 — — US disclosed
US-12065407-B2 Dual acting FKBP12 and FKBP52 inhibitors PLEX PHARMACEUTICALS, INC. (US) 2024-08-20 — — US disclosed
US-20210395203-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS PLEX PHARMACEUTICALS, INC. 2021-12-23 — — US disclosed
US-20200399219-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS PLEX PHARMACEUTICALS, INC. 2020-12-24 — — 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-20200399219-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS FKBP2, FKBP1B, FKBP1A NAMPT 2597/4885PTAFR 2518/4885CNR1 3234/4885
US-20210395203-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS FKBP2, FKBP1B, FKBP1A NAMPT 2597/4885PTAFR 2518/4885CNR1 3234/4885
US-12065407-B2 Dual acting FKBP12 and FKBP52 inhibitors FKBP2, FKBP1B, FKBP1A NAMPT 2597/4885PTAFR 2518/4885CNR1 3234/4885
US-12371406-B2 Dual acting FKBP12 and FKBP52 inhibitors FKBP2, FKBP1B, FKBP1A NAMPT 2597/4885PTAFR 2518/4885CNR1 3234/4885

“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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