SCHEMBL4936000

SCHEMBL4936000

O=C(O)[C@@H]1CCN(C(=O)OCc2ccccc2)[C@@H]1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ CYP2C19 P33261 1/20 0.49
▸ PREP P48147 2/20 0.47
▸ F2 P00734 2/20 0.46
▸ ELANE P08246 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CTSG P08311 1/20 0.46

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
SCHEMBL4936013 1.00 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL14068812 1.00 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL4936008 1.00 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL4932634 0.99 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL4932643 0.99 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL4932640 0.99 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL5220077 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL5220068 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL5220060 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19PREP
SCHEMBL5221229 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES HUMPHREY JOHN MICHAEL 2008-09-11 — — US disclosed
US-7381741-B2 In which the amino is substituted by arylmethyl- or heteroarylmethyl- group, e.g., 2-Methoxybenzyl)-(2-phenylpyrrolidin-3-yl)-amine and 5-{[2-(3-Chloro-phenyl)-pyrrolidin-3-ylamino]-methyl}-6-methoxy-3-methyl-1,1a,3,7b-tetrahydro-3-aza-cyclopropa[a]naphalen-2-one; neurokinin 1 (Substance P) inhititors PFIZER INC (US) 2008-06-03 — — US disclosed
EP-1753718-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES Pfizer Products Incorporated (US) 2007-02-21 — — EP disclosed
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PFIZER INC. 2005-12-29 — — US disclosed
WO-2005115976-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2005-12-08 — — 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 (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-20080221151-A1 3-AMINO-2-PHENYLPYRROLIDINE DERIVATIVES PBK, KCND3, KCND2 SMN1; SMN2 2785/4885NPC1 544/4885RAB9A 3111/4885
US-20050288358-A1 3-amino-2-phenylpyrrolidine derivatives PBK, KCND3, KCND2 SMN1; SMN2 2785/4885NPC1 544/4885RAB9A 3111/4885

“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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