SCHEMBL14077690

SCHEMBL14077690

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HTR2C P28335 1/20 0.50
▸ PDK1 Q15118 1/20 0.49
▸ PDK2 Q15119 1/20 0.49
▸ PDK3 Q15120 1/20 0.49
▸ PDK4 Q16654 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49

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
SCHEMBL4936000 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4936008 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5220060 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5220077 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5220068 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5221229 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL14068812 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4936013 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5221240 0.84 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4932640 0.83 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19

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 1 patent. 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

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-20080221151-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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