SCHEMBL3527660

SCHEMBL3527660

O=C(O)N1CCC(c2nc(Cc3cccnc3)no2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
TSHR P16473 4/20 0.47
TUBB4A P04350 4/20 0.46
TUBB P07437 4/20 0.46
TUBA3C P0DPH7 4/20 0.46
TUBA1B P68363 4/20 0.46
TUBA4A P68366 4/20 0.46
TUBB4B P68371 4/20 0.46
TUBB3 Q13509 4/20 0.46
TUBB2A Q13885 4/20 0.46
TUBB8 Q3ZCM7 4/20 0.46
TUBA3E Q6PEY2 4/20 0.46
TUBA1A Q71U36 4/20 0.46
TUBA1C Q9BQE3 4/20 0.46
TUBB6 Q9BUF5 4/20 0.46
TUBB2B Q9BVA1 4/20 0.46
TUBB1 Q9H4B7 4/20 0.46
EPHX2 P34913 2/20 0.46
KCNH2 Q12809 2/20 0.46
CACNA1C Q13936 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
SCHEMBL3525372 0.85 GPR119 (0.51) LMNAHTTSMN1; SMN2
SCHEMBL27621223 0.82 LMNA (0.43) LMNATSHRTUBB4ATUBBTUBA3C
SCHEMBL5634878 0.81 HTT (0.47) LMNATSHRTUBB4ATUBBTUBA3C
SCHEMBL5634381 0.81 TUBB4A (0.52) LMNATSHRTUBB4ATUBBTUBA3C
SCHEMBL3525267 0.79 PPARA (0.45) LMNATSHRMEN1KMT2AMAPK1
SCHEMBL5633750 0.79 LMNA (0.47) LMNATSHRTUBB4ATUBBTUBA3C
SCHEMBL2026288 0.79 EPHX2 (0.68) LMNATSHRTUBB4ATUBBTUBA3C
SCHEMBL6154577 0.78 ALDH1A1 (0.46) LMNATSHRTUBB4ATUBBTUBA3C
SCHEMBL5634437 0.78 LMNA (0.47) LMNATSHRTUBB4ATUBBTUBA3C
SCHEMBL3610721 0.78 TUBB4A (0.41) LMNATSHRTUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 US disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 EP disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 LMNA 4206/4885TSHR 2546/4885TUBB4A 3814/4885

“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.