SCHEMBL20834263

SCHEMBL20834263

CCCCN(CCCC)C(=O)OCC(C)S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
MAPT P10636 2/20 0.35
ALDH1A1 P00352 3/20 0.33
ALDH2 P05091 1/20 0.33
CA2 P00918 2/20 0.32
LMNA P02545 4/20 0.31
CYP3A4 P08684 2/20 0.31
DNM1 Q05193 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL6895861 0.85 CA1 (0.44) CA1CA12CA9MMP1MMP2
SCHEMBL14230109 0.82 CA12 (0.41) CA1CA12CA9MMP1MMP2
SCHEMBL11300741 0.79 CA12 (0.47) CA1CA12CA9MMP1MMP2
SCHEMBL6895698 0.79 MAPT (0.42) CA1CA12CA9MAPTALDH1A1
SCHEMBL14870601 0.79 MAPT (0.42) CA1CA12CA9MAPTALDH1A1
SCHEMBL4346470 0.77 CA12 (0.50) CA1CA12CA9MMP1MMP2
SCHEMBL3482950 0.76 CA12 (0.39) CA1CA12CA9MMP1MMP2
SCHEMBL18856294 0.76 CA12 (0.42) CA1CA12CA9CA2TSHR
SCHEMBL19018673 0.75 CA12 (0.48) CA1CA12CA9MMP1MMP2
Hydrochloric Acid SCHEMBL28209960 0.75 CA12 (0.48) CA1CA12CA9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2019-07-16 US disclosed
US-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2019-03-21 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-20190084937-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE CA1 2576/4885CA12 3134/4885CA9 3302/4885
US-10351529-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE CA1 2576/4885CA12 3134/4885CA9 3302/4885

“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.