SCHEMBL18190830

SCHEMBL18190830

CN(CC(=O)OCc1ccccc1)C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
HTR2C P28335 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CACNA1B Q00975 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
NMT1 P30419 1/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SLC6A3 Q01959 2/20 0.40
HTR1A P08908 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
SCHEMBL16095918 0.83 HTR2A (0.45) ALDH1A1MAPK1L3MBTL1GLATSHR
SCHEMBL18154194 0.82 SMN1; SMN2 (0.49) ALDH1A1MAPK1L3MBTL1SIGMAR1
SCHEMBL785743 0.81 SIGMAR1 (0.54) ALDH1A1TSHRHTR2CSIGMAR1CACNA1B
Hydrochloric Acid SCHEMBL3947591 0.80 SIGMAR1 (0.53) ALDH1A1TSHRHTR2CSIGMAR1CACNA1B
SCHEMBL5727402 0.80 CCR5 (0.41) L3MBTL1GLACACNA1BITGB3ITGA2B
SCHEMBL28038898 0.79 ALDH1A1 (0.51) ALDH1A1GLATSHRHTR2CSIGMAR1
SCHEMBL7354989 0.79 GLA (0.56) ALDH1A1MAPK1L3MBTL1GLATSHR
Hydrochloric Acid SCHEMBL4072243 0.78 GLA (0.54) ALDH1A1MAPK1L3MBTL1GLATSHR
SCHEMBL7012254 0.77 CA12 (0.42) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL803682 0.77 SIGMAR1 (0.53) ALDH1A1TSHRHTR2CSIGMAR1CACNA1B

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-20240368159-A1 HPK1 DEGRADERS, COMPOSITIONS COMPRISING THE HPK1 DEGRADER, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-11-07 US disclosed
EP-3265448-A1 RILUZOLE PRODRUGS AND THEIR USE Biohaven Pharmaceutical Holding Company Ltd. (US) 2018-01-10 EP disclosed
WO-2016140879-A9 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-11-03 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-20240368159-A1 HPK1 DEGRADERS, COMPOSITIONS COMPRISING THE HPK1 DEGRADER, AND METHODS OF USING THE SAME HYPK, PGK1, HIPK1 ALDH1A1 2946/4885MAPK1 600/4885L3MBTL1 3309/4885

“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.