SCHEMBL3355397

SCHEMBL3355397

N#CC1(Cc2ccc(Cl)cc2)CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.46
PROKR1 Q8TCW9 1/20 0.46
DRD2 P14416 1/20 0.42
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
OPRM1 P35372 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
Hydrochloric Acid SCHEMBL28123134 0.98 FPR2 (0.46) FPR2PROKR1DRD2USP2SMN1; SMN2
SCHEMBL23630297 0.88 FPR2 (0.48) FPR2PROKR1SMN1; SMN2MAOAMAOB
SCHEMBL22719235 0.85 USP2 (0.51) FPR2PROKR1USP2SMN1; SMN2CYP2D6
SCHEMBL2796832 0.83 SLC6A2 (0.39) FPR2PROKR1USP2SMN1; SMN2CYP2D6
SCHEMBL22719420 0.83 FPR2 (0.39) FPR2PROKR1USP2SMN1; SMN2CYP2D6
SCHEMBL736076 0.83 CYP2C9 (0.42) USP2CYP2D6TSHRMAOAMAOB
Hydrochloric Acid SCHEMBL22719255 0.82 CYP2A6 (0.43) FPR2PROKR1USP2SMN1; SMN2CYP2D6
Hydrochloric Acid SCHEMBL22719396 0.82 FPR2 (0.38) FPR2PROKR1USP2SMN1; SMN2CYP2D6
Hydrochloric Acid SCHEMBL4635148 0.82 SLC6A2 (0.38) FPR2PROKR1USP2SMN1; SMN2CYP2D6
SCHEMBL6190753 0.81 ACAT2 (0.44) CYP2D6MAPTHTTHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. 2022-10-20 US disclosed
EP-3976186-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Sage Therapeutics, Inc. (US) 2022-04-06 EP disclosed
WO-2020243027-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2020-12-03 WO disclosed
WO-2020243027-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SAGE THERAPEUTICS, INC. (US) 2020-12-03 WO disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 FPR2 60/4885PROKR1 148/4885DRD2 1779/4885
US-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYP46A1, CYP26A1, CYP21A2 FPR2 2266/4885PROKR1 4177/4885DRD2 3779/4885

“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.