SCHEMBL22719201

SCHEMBL22719201

N#CC1(CCCc2ccccc2)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
TACR1 P25103 2/20 0.42
OPRM1 P35372 3/20 0.42
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 2/20 0.35
KDM1A O60341 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL14905909 0.90 MEN1 (0.41) SIGMAR1TACR1OPRM1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL27153631 0.89 MEN1 (0.40) SIGMAR1TACR1OPRM1MEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL22719313 0.85 FAAH (0.43) SIGMAR1TACR1OPRM1
SCHEMBL736076 0.80 CYP2C9 (0.42) SIGMAR1TACR1OPRM1MEN1ALDH1A1
SCHEMBL26666892 0.80 TACR1 (0.33) TACR1MEN1ALDH1A1KMT2ASLC6A4
Trifluoroacetic Acid SCHEMBL22719319 0.79 NPC1 (0.42) TACR1MEN1ALDH1A1CYP2C9TSHR
Hydrochloric Acid SCHEMBL4772769 0.79 MEN1 (0.41) SIGMAR1TACR1OPRM1MEN1ALDH1A1
SCHEMBL2436696 0.78 KDM1A (0.45) OPRM1MEN1ALDH1A1KMT2AOPRL1
Hydrochloric Acid SCHEMBL22719342 0.78 MEN1 (0.41) SIGMAR1TACR1OPRM1MEN1ALDH1A1
SCHEMBL7502276 0.76 TACR1 (0.48) SIGMAR1TACR1OPRM1MEN1ALDH1A1

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 3 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

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-20220332699-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYP46A1, CYP26A1, CYP21A2 SIGMAR1 1384/4885TACR1 1017/4885OPRM1 2007/4885

“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.