SCHEMBL7058844

SCHEMBL7058844

CC(C)CCC(N)CC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 9/20 0.52
ERAP1 Q9NZ08 2/20 0.52
ERAP2 Q6P179 1/20 0.52
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
NFKB1 P19838 1/20 0.50
THPO P40225 1/20 0.50
LMNA P02545 2/20 0.48
GMNN O75496 1/20 0.48
MAPT P10636 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 1/20 0.38
SLC7A5 Q01650 1/20 0.36

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
SCHEMBL22005543 0.85 TSHR (0.53) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL22162665 0.85 TSHR (0.53) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL7610543 0.83 TSHR (0.39) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL10477009 0.82 ANPEP (0.48) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL21973637 0.80 ANPEP (0.46) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL18949821 0.80 ANPEP (0.46) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL56311 0.79 ANPEP (0.65) ANPEPERAP1ERAP2TSHRCYP3A4
SCHEMBL727642 0.79
SCHEMBL18085375 0.79
SCHEMBL11222798 0.79 ANPEP (0.50) ANPEPERAP1ERAP2TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330074-A1 COMPOUNDS AND METHODS FOR TREATING SPASTICITY LEXICON PHARMACEUTICALS, INC. (US) 2023-10-19 US disclosed
WO-2021178612-A1 COMBINATION THERAPY FOR TREATING HEPATITIS B VIRUS INFECTION Janssen Pharmaceuticals, Inc. (US) 2021-09-10 WO disclosed
WO-2019079119-A1 SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-04-25 WO disclosed
EP-0994108-B1 PROCESS FOR PRODUCING 2-HYDROXYBENZAMIDE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-05-14 EP disclosed
US-6197970-B1 REACTING WITH SECONDARY OR TERTIARY AMINE; DEBLOCKING, DEPROTECTING ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
EP-0994108-A1 PROCESS FOR PRODUCING 2-HYDROXYBENZAMIDE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP 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-20230330074-A1 COMPOUNDS AND METHODS FOR TREATING SPASTICITY SMN1; SMN2, MUSK, GAB1 ANPEP 2262/4885ERAP1 1859/4885ERAP2 1934/4885

“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.