SCHEMBL22822687

SCHEMBL22822687

C=C(/C=C\C=C/C)[C@H](NC(=O)c1ccc2cc(F)ccc2c1)C(=O)NCCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ KMT2A Q03164 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MME P08473 1/20 0.38
▸ ECE1 P42892 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL20777192 0.78 F10 (0.64) RAB9ANPC1KMT2ACYP2D6CYP2C9
SCHEMBL20777191 0.78 F10 (0.64) RAB9ANPC1KMT2ACYP2D6CYP2C9
SCHEMBL22822786 0.73 NPC1 (0.48) RAB9ANPC1F10PRSS1MAPT
SCHEMBL20777169 0.73 CTSL (0.49) RAB9ANPC1KMT2ACNR1
SCHEMBL20777212 0.72 NPC1 (0.55) RAB9ANPC1KMT2AKDM4EMAPT
SCHEMBL22822802 0.72 NPC1 (0.55) RAB9ANPC1KMT2AKDM4EMAPT
SCHEMBL2244001 0.67 CCKBR (0.54) KDM4EMAPTHTT
SCHEMBL20777178 0.65 CTSL (0.52) KMT2AKDM4EMAPTHTTCNR1
SCHEMBL20777202 0.65 CTSL (0.52) KMT2AKDM4EMAPTHTTCNR1
SCHEMBL22822775 0.65 CNR1 (0.51) RAB9ANPC1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20200399219-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS FKBP2, FKBP1B, FKBP1A RAB9A 1223/4885NPC1 1443/4885KMT2A 4465/4885

“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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