SCHEMBL21346583

SCHEMBL21346583

CCCCCCC(CC)COC(=O)OCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
CYP3A4 P08684 5/20 0.54
TSHR P16473 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 4/20 0.48
CA2 P00918 1/20 0.48
RECQL P46063 1/20 0.46
ZDHHC7 Q9NXF8 1/20 0.45
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LCK P06239 1/20 0.41
PPARD Q03181 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
MMP9 P14780 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
SCHEMBL18856341 0.93 PRSS1 (0.56) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL20260283 0.93 PRSS1 (0.48) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL18388451 0.93 CYP3A4 (0.62) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL19359823 0.93 PRSS1 (0.48) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL18856342 0.93 PRSS1 (0.48) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL13799407 0.91 CYP3A4 (0.64) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL10027500 0.90 CYP3A4 (0.58) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL1508556 0.90 CYP3A4 (0.58) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL13133102 0.90 CYP3A4 (0.58) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL38663001 0.90 CYP3A4 (0.58) PRSS1PRSS2PRSS3CYP3A4TSHR

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-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2020-11-03 US disclosed
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-09-12 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 (3 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-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE PRSS1 4148/4885PRSS2 4544/4885PRSS3 4762/4885
US-20190276406-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE PRSS1 4148/4885PRSS2 4544/4885PRSS3 4762/4885
US-10822306-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE PRSS1 4148/4885PRSS2 4544/4885PRSS3 4762/4885

“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.