SCHEMBL2163466

SCHEMBL2163466

CCC(C)NCC(=O)O.O=C=NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ OPRM1 P35372 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ABL1 P00519 1/20 0.42
▸ RIN1 Q13671 1/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BCHE P06276 1/20 0.41

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
SCHEMBL5655033 0.80 ACHE (0.57) SIGMAR1BCHE
SCHEMBL2165072 0.77 ALDH1A1 (0.47) CYP2C9ALDH1A1CYP2C19
SCHEMBL2164485 0.74 SMN1; SMN2 (0.41) HTTSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL2164153 0.71 KDM4E (0.39) PKMHTTCYP2D6CYP2C9ALDH1A1
SCHEMBL19770184 0.69 ACHE (0.62) PKMHTTOPRM1ABL1RIN1
SCHEMBL7651915 0.69 ACHE (0.62) PKMHTTOPRM1ABL1RIN1
SCHEMBL4987941 0.67 ACHE (0.57) HTTSIGMAR1ALDH1A1BCHE
Hydrochloric Acid SCHEMBL3156656 0.67 ABL1 (0.56) OPRM1ABL1RIN1SIGMAR1BCHE
SCHEMBL7810400 0.67 ABL1 (0.56) OPRM1ABL1RIN1SIGMAR1ALDH1A1
SCHEMBL14636306 0.66 ACHE (0.48) SIGMAR1ALDH1A1CYP2C19SMN1; SMN2

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-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 — — US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 — — 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 (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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 PKM 3394/4885HTT 3023/4885OPRM1 4522/4885

“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.

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