SCHEMBL22822686

SCHEMBL22822686

CN(C(=O)c1ccc2cc(F)ccc2c1)C(Cc1ccc(Cl)cc1)C(=O)NCCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TMEM97 Q5BJF2 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ HDAC8 Q9BY41 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL20777236 1.00 CNR1 (0.45) CNR1CNR2RAB9ANPC1TMEM97
SCHEMBL20777169 0.81 CTSL (0.49) CNR1CNR2RAB9ANPC1KMT2A
SCHEMBL22822786 0.78 NPC1 (0.48) CNR1CNR2RAB9ANPC1MAPT
SCHEMBL20777199 0.73 CTSL (0.52) CNR1CNR2HDAC8MAPTKMT2A
SCHEMBL20777202 0.73 CTSL (0.52) CNR1CNR2HDAC8MAPTKMT2A
SCHEMBL20777178 0.73 CTSL (0.52) CNR1CNR2HDAC8MAPTKMT2A
SCHEMBL22802171 0.73 CNR1 (0.48) CNR1CNR2SIGMAR1HDAC8MAPT
SCHEMBL24119968 0.73 NPC1 (0.60) CNR1CNR2RAB9ANPC1KMT2A
SCHEMBL20777173 0.73 NPC1 (0.60) CNR1CNR2RAB9ANPC1KMT2A
SCHEMBL22822802 0.71 NPC1 (0.55) RAB9ANPC1MAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 CNR1 3234/4885CNR2 2054/4885RAB9A 1223/4885
US-20210395203-A1 DUAL ACTING FKBP12 AND FKBP52 INHIBITORS FKBP2, FKBP1B, FKBP1A CNR1 3234/4885CNR2 2054/4885RAB9A 1223/4885

“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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