SCHEMBL14745684

SCHEMBL14745684

Cn1ccc2cc(/C(CC3CC3)=N\C(C)(C)C)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
MAOB P27338 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
CYP2A6 P11509 1/20 0.38
PRKCI P41743 1/20 0.37
KDM2B Q8NHM5 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
SCHEMBL14745685 1.00 CHRNA7 (0.39) CHRNA7MAOBTUBB4ATUBBTUBA3C
SCHEMBL14757995 0.85 CHRNA7 (0.42) CHRNA7MAOBTUBB4ATUBBTUBA3C
SCHEMBL14744680 0.81 MAOB (0.40) CHRNA7MAOBTUBB4ATUBBTUBA3C
SCHEMBL14744681 0.81 MAOB (0.40) CHRNA7MAOBTUBB4ATUBBTUBA3C
SCHEMBL14745153 0.80 MAOB (0.39) CHRNA7MAOBTUBB4ATUBBTUBA3C
SCHEMBL14745154 0.80 MAOB (0.39) CHRNA7MAOBTUBB4ATUBBTUBA3C
SCHEMBL14745353 0.78 CHRNA7 (0.47) CHRNA7MAOBTUBB4ATUBBTUBA3C
SCHEMBL14745723 0.70 CYP2A6 (0.37) CHRNA7CYP2A6PRKCIKDM2B
SCHEMBL14745755 0.70 CYP2A6 (0.37) CHRNA7CYP2A6PRKCIKDM2B
SCHEMBL16440971 0.70 CYP2A6 (0.37) CHRNA7CYP2A6PRKCIKDM2B

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-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP CHRNA7 4880/4885MAOB 1672/4885TUBB4A 186/4885

“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.