SCHEMBL3058673

SCHEMBL3058673

C[C@@H]1CN(C2CCN(C(=O)OCc3ccccc3)CC2)C(=O)O1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP2C19 P33261 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GRIN2B Q13224 5/20 0.47
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
GRM2 Q14416 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR2C P28335 1/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL3058470 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL19001214 0.85 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5866399 0.81 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL17946346 0.81 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5493772 0.80 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3068185 0.79 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5866437 0.79 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2861155 0.79 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL27335331 0.78 HTR2C (0.51) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2855618 0.78 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 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 (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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 SMN1; SMN2 2480/4885NPC1 462/4885RAB9A 577/4885

“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.