SCHEMBL1834764

SCHEMBL1834764

CC(=O)c1noc(C2CCN(C(=O)O)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.46
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 2/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40
TUBB6 Q9BUF5 2/20 0.40
TUBB2B Q9BVA1 2/20 0.40
TUBB1 Q9H4B7 2/20 0.40

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
SCHEMBL14959498 0.84 SMYD3 (0.53) SMYD3LMNATSHRSMN1; SMN2
SCHEMBL5634920 0.82 EPHX2 (0.57) LMNATSHRSMN1; SMN2EPHX2TUBB4A
SCHEMBL1834644 0.81 TSHR (0.44) SMYD3LMNATSHRSMN1; SMN2EPHX2
SCHEMBL2023091 0.79 TUBB4A (0.42) SMYD3LMNATSHRSMN1; SMN2EPHX2
SCHEMBL4715217 0.78 EPHX2 (0.59) SMYD3LMNATSHRSMN1; SMN2EPHX2
SCHEMBL877410 0.76 GPR119 (0.44)
Hydrochloric Acid SCHEMBL876871 0.75 GPR119 (0.44)
SCHEMBL5635609 0.75 GRM5 (0.46) SMYD3LMNATSHRSMN1; SMN2EPHX2
SCHEMBL7832393 0.75 SMO (0.51) LMNATSHRSMN1; SMN2EPHX2TUBB4A
SCHEMBL3241112 0.73 TUBB4A (0.69) LMNATSHRSMN1; SMN2EPHX2TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 US disclosed
EP-2318400-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2011-05-11 EP disclosed
WO-2010013037-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-02-04 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-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 SMYD3 1924/4885LMNA 4797/4885TSHR 931/4885

“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.