SCHEMBL2501176

SCHEMBL2501176

CC(C)(C)OC(=O)N1CCN(c2c(F)cc(N3C(=O)OCC3Cn3cc(CF)nn3)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 18/20 0.40
KDM1B Q8NB78 2/20 0.40
ALDH1A1 P00352 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL2509466 0.94 KDM1A (0.40) KDM1AKDM1BALDH1A1TUBB4ATUBB
SCHEMBL2478686 0.88 MAOA (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2501461 0.85 MAOA (0.38) GPR119
SCHEMBL2501174 0.83 MAOA (0.49) KDM1AKDM1B
SCHEMBL18059592 0.83 MAOA (0.49) KDM1AKDM1B
SCHEMBL2507043 0.82 GPR119 (0.41) ALDH1A1GPR119
SCHEMBL2480377 0.81 GPR119 (0.40) ALDH1A1GPR119
SCHEMBL2452755 0.79 MAOA (0.40) ALDH1A1GPR119
SCHEMBL2499942 0.79 GPR119 (0.39) GPR119
SCHEMBL2498576 0.78 HPGD (0.39) ALDH1A1GPR119

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-8841306-B2 Antimicrobials PANACEA BIOTEC LTD. (IN) 2014-09-23 US disclosed
US-20110245258-A1 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2011-10-06 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-20110245258-A1 NOVEL ANTIMICROBIALS ECI1, XDH, CYP3A4 KDM1A 4362/4885KDM1B 4725/4885ALDH1A1 665/4885

“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.